4-chloro-N-(thiatriazol-5-yl)pyridine-3-carboxamide

C7H4ClN5OS — CID 114912098

IUPAC4-chloro-N-(thiatriazol-5-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nnns1)c1cnccc1Cl
InChIInChI=1S/C7H4ClN5OS/c8-5-1-2-9-3-4(5)6(14)10-7-11-12-13-15-7/h1-3H,(H,10,11,13,14)
InChIKeyNGHMKJOXKCNJSW-UHFFFAOYSA-N
MW241.66 g/mol
LogP1.23
Rot. Bonds2

About 4-chloro-N-(thiatriazol-5-yl)pyridine-3-carboxamide

4-chloro-N-(thiatriazol-5-yl)pyridine-3-carboxamide (PubChem CID 114912098) has the molecular formula C7H4ClN5OS and a molecular weight of 241.66 g/mol. Its IUPAC name is 4-chloro-N-(thiatriazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(thiatriazol-5-yl)pyridine-3-carboxamide
PubChem CID114912098
Molecular FormulaC7H4ClN5OS
Molecular Weight241.66 g/mol
Exact Mass240.98
IUPAC Name4-chloro-N-(thiatriazol-5-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nnns1)c1cnccc1Cl
InChIInChI=1S/C7H4ClN5OS/c8-5-1-2-9-3-4(5)6(14)10-7-11-12-13-15-7/h1-3H,(H,10,11,13,14)
InChIKeyNGHMKJOXKCNJSW-UHFFFAOYSA-N
XLogP1.23
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.66
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(thiatriazol-5-yl)pyridine-3-carboxamide
CID 114914399
4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 81226435
5-chloro-N-(thiatriazol-5-yl)pyrazine-2-carboxamide
CID 107372217
6-amino-3-chloro-N-(thiatriazol-5-yl)pyridine-2-carboxamide
CID 114914322
4-chloro-N-methoxypyridine-3-carboxamide
CID 103871256
2,4-dibromo-N-(thiatriazol-5-yl)benzamide
CID 107953571
N-(4-carbamoyl-3-chlorophenyl)-4-chloropyridine-3-carboxamide
CID 81226788
3-chloro-6-(propylamino)-N-(thiatriazol-5-yl)pyridine-2-carboxamide
CID 114914367
4-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 81225135
4-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 81233431
2-bromo-4-fluoro-N-(thiatriazol-5-yl)benzamide
CID 114912800
4-chloro-N-(5-methyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 103872553

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(thiatriazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(thiatriazol-5-yl)pyridine-3-carboxamide (CID 114912098) is 4-chloro-N-(thiatriazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(thiatriazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(thiatriazol-5-yl)pyridine-3-carboxamide is O=C(Nc1nnns1)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-(thiatriazol-5-yl)pyridine-3-carboxamide?
The InChIKey is NGHMKJOXKCNJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN5OS/c8-5-1-2-9-3-4(5)6(14)10-7-11-12-13-15-7/h1-3H,(H,10,11,13,14).
What are the key properties of 4-chloro-N-(thiatriazol-5-yl)pyridine-3-carboxamide?
4-chloro-N-(thiatriazol-5-yl)pyridine-3-carboxamide has a molecular weight of 241.66 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(thiatriazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 114912098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).