6-chloro-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide

C10H8ClN3OS — CID 2082452

IUPAC6-chloro-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCc1csc(NC(=O)c2ccc(Cl)nc2)n1
InChIInChI=1S/C10H8ClN3OS/c1-6-5-16-10(13-6)14-9(15)7-2-3-8(11)12-4-7/h2-5H,1H3,(H,13,14,15)
InChIKeyBOFMSSVMYZHIJJ-UHFFFAOYSA-N
MW253.71 g/mol
LogP2.75
Rot. Bonds2

About 6-chloro-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide

6-chloro-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide (PubChem CID 2082452) has the molecular formula C10H8ClN3OS and a molecular weight of 253.71 g/mol. Its IUPAC name is 6-chloro-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
PubChem CID2082452
Molecular FormulaC10H8ClN3OS
Molecular Weight253.71 g/mol
Exact Mass253.01
IUPAC Name6-chloro-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCc1csc(NC(=O)c2ccc(Cl)nc2)n1
InChIInChI=1S/C10H8ClN3OS/c1-6-5-16-10(13-6)14-9(15)7-2-3-8(11)12-4-7/h2-5H,1H3,(H,13,14,15)
InChIKeyBOFMSSVMYZHIJJ-UHFFFAOYSA-N
XLogP2.75
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 52.75
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-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide (CID 2082452) is 6-chloro-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide is Cc1csc(NC(=O)c2ccc(Cl)nc2)n1.
What is the InChIKey of 6-chloro-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is BOFMSSVMYZHIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3OS/c1-6-5-16-10(13-6)14-9(15)7-2-3-8(11)12-4-7/h2-5H,1H3,(H,13,14,15).
What are the key properties of 6-chloro-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
6-chloro-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 253.71 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 2082452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).