2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide

C10H9N3OS2 — CID 60564390

IUPAC2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide
SMILESCSc1cc(C(=O)Nc2nccs2)ccn1
InChIInChI=1S/C10H9N3OS2/c1-15-8-6-7(2-3-11-8)9(14)13-10-12-4-5-16-10/h2-6H,1H3,(H,12,13,14)
InChIKeyIJVONBNLRIZFTK-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.51
Rot. Bonds3

About 2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide

2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide (PubChem CID 60564390) 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-4-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide
PubChem CID60564390
Molecular FormulaC10H9N3OS2
Molecular Weight251.34 g/mol
Exact Mass251.02
IUPAC Name2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide
SMILESCSc1cc(C(=O)Nc2nccs2)ccn1
InChIInChI=1S/C10H9N3OS2/c1-15-8-6-7(2-3-11-8)9(14)13-10-12-4-5-16-10/h2-6H,1H3,(H,12,13,14)
InChIKeyIJVONBNLRIZFTK-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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Related Compounds

3-hydroxy-N-(1,3-thiazol-2-yl)benzamide
CID 17362164
3-amino-4-methyl-N-(1,3-thiazol-2-yl)benzamide
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N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
[2-methyl-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamic acid
CID 87845278
N-(1,3-thiazol-2-yl)-2-(1,3-thiazol-5-yl)pyridine-4-carboxamide
CID 110131633
2-methyl-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-carboxamide
CID 110765316
3,5-difluoro-4-(methylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 55160396
3-amino-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 61090146
N-cyclopropyl-2-methylsulfanylpyridine-4-carboxamide
CID 126562476
N-(1,3-thiazol-2-yl)-2H-benzotriazole-5-carboxamide
CID 18276930
N-(4-methyl-3-nitrophenyl)-2-methylsulfanylpyridine-4-carboxamide
CID 60567323
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CID 110485084

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide (CID 60564390) is 2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide is CSc1cc(C(=O)Nc2nccs2)ccn1.
What is the InChIKey of 2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide?
The InChIKey is IJVONBNLRIZFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS2/c1-15-8-6-7(2-3-11-8)9(14)13-10-12-4-5-16-10/h2-6H,1H3,(H,12,13,14).
What are the key properties of 2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide?
2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyridine-4-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-4-carboxamide is sourced from PubChem (CID 60564390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).