2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide

C10H9N3OS2 — CID 2679179

IUPAC2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1nccs1
InChIInChI=1S/C10H9N3OS2/c1-15-9-7(3-2-4-11-9)8(14)13-10-12-5-6-16-10/h2-6H,1H3,(H,12,13,14)
InChIKeyWSHGOLKXFFKTHY-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.51
Rot. Bonds3

About 2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide

2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide (PubChem CID 2679179) has the molecular formula C10H9N3OS2 and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
PubChem CID2679179
Molecular FormulaC10H9N3OS2
Molecular Weight251.34 g/mol
Exact Mass251.02
IUPAC Name2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1nccs1
InChIInChI=1S/C10H9N3OS2/c1-15-9-7(3-2-4-11-9)8(14)13-10-12-5-6-16-10/h2-6H,1H3,(H,12,13,14)
InChIKeyWSHGOLKXFFKTHY-UHFFFAOYSA-N
XLogP2.51
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide (CID 2679179) is 2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1nccs1.
What is the InChIKey of 2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is WSHGOLKXFFKTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS2/c1-15-9-7(3-2-4-11-9)8(14)13-10-12-5-6-16-10/h2-6H,1H3,(H,12,13,14).
What are the key properties of 2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 251.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 2679179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).