TL;DR: N-[2-(4-hydroxyphenyl)ethyl]-3-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]propanamide (CAS 892621-08-8) is a chemical compound with molecular formula C19H18N2O3S3 and molecular weight 418.04794 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-(4-hydroxyphenyl)ethyl]-3-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanamide
Also Known As: N-[2-(4-hydroxyphenyl)ethyl]-3-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]propanamide, (Z)-N-(4-hydroxyphenethyl)-3-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)propanamide, N-[2-(4-hydroxyphenyl)ethyl]-3-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanamide, N-[2-(4-hydroxyphenyl)ethyl]-3-[4-oxo-5-(2-thienylmethylene)-2-thioxo(1,3-thia zolidin-3-yl)]propanamide
| Molecular Formula | C19H18N2O3S3 |
| Molecular Weight | 418.04794 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 155.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.04794 Da |
| Heavy Atoms | 27 |
| Complexity | 603.0 |
| SMILES | C1=CSC(=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NCCC3=CC=C(C=C3)O |
| InChIKey | HVYLIMURHCKTCX-VBKFSLOCSA-N |
The XLogP value of 3.5 indicates that N-[2-(4-hydroxyphenyl)ethyl]-3-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting N-[2-(4-hydroxyphenyl)ethyl]-3-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]propanamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-[2-(4-hydroxyphenyl)ethyl]-3-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]propanamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[2-(4-hydroxyphenyl)ethyl]-3-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]propanamide is 892621-08-8.
The molecular formula of N-[2-(4-hydroxyphenyl)ethyl]-3-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]propanamide is C19H18N2O3S3.
The molecular weight of N-[2-(4-hydroxyphenyl)ethyl]-3-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]propanamide is 418.04794 g/mol.
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