N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C15H12N4OS — CID 860498

IUPACN-(5-benzyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nnc(Cc2ccccc2)s1)c1cccnc1
InChIInChI=1S/C15H12N4OS/c20-14(12-7-4-8-16-10-12)17-15-19-18-13(21-15)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,17,19,20)
InChIKeyANCOQGFGQXSRNA-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.78
Rot. Bonds4

About N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 860498) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID860498
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nnc(Cc2ccccc2)s1)c1cccnc1
InChIInChI=1S/C15H12N4OS/c20-14(12-7-4-8-16-10-12)17-15-19-18-13(21-15)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,17,19,20)
InChIKeyANCOQGFGQXSRNA-UHFFFAOYSA-N
XLogP2.78
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 860498) is N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1nnc(Cc2ccccc2)s1)c1cccnc1.
What is the InChIKey of N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is ANCOQGFGQXSRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c20-14(12-7-4-8-16-10-12)17-15-19-18-13(21-15)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,17,19,20).
What are the key properties of N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 296.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 860498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).