2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide

C11H10ClN3OS — CID 840220

IUPAC2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCc1nc(NC(=O)c2cccnc2Cl)sc1C
InChIInChI=1S/C11H10ClN3OS/c1-6-7(2)17-11(14-6)15-10(16)8-4-3-5-13-9(8)12/h3-5H,1-2H3,(H,14,15,16)
InChIKeyWCYRBESDTZZGBR-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.06
Rot. Bonds2

About 2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide

2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide (PubChem CID 840220) has the molecular formula C11H10ClN3OS and a molecular weight of 267.74 g/mol. Its IUPAC name is 2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
PubChem CID840220
Molecular FormulaC11H10ClN3OS
Molecular Weight267.74 g/mol
Exact Mass267.02
IUPAC Name2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCc1nc(NC(=O)c2cccnc2Cl)sc1C
InChIInChI=1S/C11H10ClN3OS/c1-6-7(2)17-11(14-6)15-10(16)8-4-3-5-13-9(8)12/h3-5H,1-2H3,(H,14,15,16)
InChIKeyWCYRBESDTZZGBR-UHFFFAOYSA-N
XLogP3.06
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.06
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 2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide (CID 840220) is 2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide is Cc1nc(NC(=O)c2cccnc2Cl)sc1C.
What is the InChIKey of 2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is WCYRBESDTZZGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS/c1-6-7(2)17-11(14-6)15-10(16)8-4-3-5-13-9(8)12/h3-5H,1-2H3,(H,14,15,16).
What are the key properties of 2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 267.74 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 840220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).