3-(1,3-thiazol-5-ylsulfanyl)pyridine-2-carboxamide

C9H7N3OS2 — CID 90242583

IUPAC3-(1,3-thiazol-5-ylsulfanyl)pyridine-2-carboxamide
SMILESNC(=O)c1ncccc1Sc1cncs1
InChIInChI=1S/C9H7N3OS2/c10-9(13)8-6(2-1-3-12-8)15-7-4-11-5-14-7/h1-5H,(H2,10,13)
InChIKeyOKMLOJFCYPVQJZ-UHFFFAOYSA-N
MW237.31 g/mol
LogP1.79
Rot. Bonds3

About 3-(1,3-thiazol-5-ylsulfanyl)pyridine-2-carboxamide

3-(1,3-thiazol-5-ylsulfanyl)pyridine-2-carboxamide (PubChem CID 90242583) has the molecular formula C9H7N3OS2 and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-(1,3-thiazol-5-ylsulfanyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(1,3-thiazol-5-ylsulfanyl)pyridine-2-carboxamide
PubChem CID90242583
Molecular FormulaC9H7N3OS2
Molecular Weight237.31 g/mol
Exact Mass237.00
IUPAC Name3-(1,3-thiazol-5-ylsulfanyl)pyridine-2-carboxamide
SMILESNC(=O)c1ncccc1Sc1cncs1
InChIInChI=1S/C9H7N3OS2/c10-9(13)8-6(2-1-3-12-8)15-7-4-11-5-14-7/h1-5H,(H2,10,13)
InChIKeyOKMLOJFCYPVQJZ-UHFFFAOYSA-N
XLogP1.79
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-pyridin-3-ylpyrazine-2-carboxamide
CID 67325612
pyridin-2-yl(1,3-thiazol-5-yl)methanone
CID 141075221
1,3-thiazole-5-carboxamide;hydrobromide
CID 164945589
3-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride
CID 140500185
2-(1,3-thiazol-5-yl)ethyl 3-methylpyridine-2-carboxylate
CID 146132900
3-(4-hydroxybutyl)pyridine-2-carboxamide
CID 173142407
3-(2-methylphenyl)pyridine-2-carboxamide
CID 174495640
3-(8-bromoisoquinolin-4-yl)pyridine-2-carboxamide
CID 175717333
3-(1-oxothietan-3-yl)pyridine-2-carboxamide
CID 71271561
2-[(3-carbamoyl-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 24694206
CID 175154223
CID 175154223
methane;pyridine-3-carboxamide
CID 19390506

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-5-ylsulfanyl)pyridine-2-carboxamide?
The IUPAC name of 3-(1,3-thiazol-5-ylsulfanyl)pyridine-2-carboxamide (CID 90242583) is 3-(1,3-thiazol-5-ylsulfanyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(1,3-thiazol-5-ylsulfanyl)pyridine-2-carboxamide?
The canonical SMILES for 3-(1,3-thiazol-5-ylsulfanyl)pyridine-2-carboxamide is NC(=O)c1ncccc1Sc1cncs1.
What is the InChIKey of 3-(1,3-thiazol-5-ylsulfanyl)pyridine-2-carboxamide?
The InChIKey is OKMLOJFCYPVQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3OS2/c10-9(13)8-6(2-1-3-12-8)15-7-4-11-5-14-7/h1-5H,(H2,10,13).
What are the key properties of 3-(1,3-thiazol-5-ylsulfanyl)pyridine-2-carboxamide?
3-(1,3-thiazol-5-ylsulfanyl)pyridine-2-carboxamide has a molecular weight of 237.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-5-ylsulfanyl)pyridine-2-carboxamide is sourced from PubChem (CID 90242583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).