TL;DR: N-[(2Z)-5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide (CAS 341941-56-8) is a chemical compound with molecular formula C15H16N4OS and molecular weight 300.1045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]butanamide
Also Known As: BAS 04835375, AB01305694-01, N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]butanamide, N-[5-(indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]butanamide, N-(5-((1H-indol-3-yl)methyl)-1,3,4-thiadiazol-2-yl)butyramide
| Molecular Formula | C15H16N4OS |
| Molecular Weight | 300.1045 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 98.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.1045 Da |
| Heavy Atoms | 21 |
| Complexity | 368.0 |
| SMILES | CCCC(=O)NC1=NN=C(S1)CC2=CNC3=CC=CC=C32 |
| InChIKey | BCAWMIGIEUDMPN-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(2Z)-5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide. The TPSA of 98.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2Z)-5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide. Following Lipinski's Rule of Five, N-[(2Z)-5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[(2Z)-5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide is 341941-56-8.
The molecular formula of N-[(2Z)-5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide is C15H16N4OS.
The molecular weight of N-[(2Z)-5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide is 300.1045 g/mol.
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