6-chloro-4-(1,2-thiazol-5-yl)pyridine-2-carboxamide

C9H6ClN3OS — CID 170350951

IUPAC6-chloro-4-(1,2-thiazol-5-yl)pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccns2)cc(Cl)n1
InChIInChI=1S/C9H6ClN3OS/c10-8-4-5(7-1-2-12-15-7)3-6(13-8)9(11)14/h1-4H,(H2,11,14)
InChIKeyVGEWXSIJJWGMAY-UHFFFAOYSA-N
MW239.69 g/mol
LogP1.96
Rot. Bonds2

About 6-chloro-4-(1,2-thiazol-5-yl)pyridine-2-carboxamide

6-chloro-4-(1,2-thiazol-5-yl)pyridine-2-carboxamide (PubChem CID 170350951) has the molecular formula C9H6ClN3OS and a molecular weight of 239.69 g/mol. Its IUPAC name is 6-chloro-4-(1,2-thiazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-4-(1,2-thiazol-5-yl)pyridine-2-carboxamide
PubChem CID170350951
Molecular FormulaC9H6ClN3OS
Molecular Weight239.69 g/mol
Exact Mass238.99
IUPAC Name6-chloro-4-(1,2-thiazol-5-yl)pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccns2)cc(Cl)n1
InChIInChI=1S/C9H6ClN3OS/c10-8-4-5(7-1-2-12-15-7)3-6(13-8)9(11)14/h1-4H,(H2,11,14)
InChIKeyVGEWXSIJJWGMAY-UHFFFAOYSA-N
XLogP1.96
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.69
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(1,2-thiazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-4-(1,2-thiazol-5-yl)pyridine-2-carboxamide (CID 170350951) is 6-chloro-4-(1,2-thiazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-4-(1,2-thiazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-4-(1,2-thiazol-5-yl)pyridine-2-carboxamide is NC(=O)c1cc(-c2ccns2)cc(Cl)n1.
What is the InChIKey of 6-chloro-4-(1,2-thiazol-5-yl)pyridine-2-carboxamide?
The InChIKey is VGEWXSIJJWGMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3OS/c10-8-4-5(7-1-2-12-15-7)3-6(13-8)9(11)14/h1-4H,(H2,11,14).
What are the key properties of 6-chloro-4-(1,2-thiazol-5-yl)pyridine-2-carboxamide?
6-chloro-4-(1,2-thiazol-5-yl)pyridine-2-carboxamide has a molecular weight of 239.69 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(1,2-thiazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 170350951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).