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

C11H10ClN3OS — CID 81226435

IUPAC4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCc1nc(NC(=O)c2cnccc2Cl)sc1C
InChIInChI=1S/C11H10ClN3OS/c1-6-7(2)17-11(14-6)15-10(16)8-5-13-4-3-9(8)12/h3-5H,1-2H3,(H,14,15,16)
InChIKeyNPIMCQBLCFZSRO-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.06
Rot. Bonds2

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

4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide (PubChem CID 81226435) has the molecular formula C11H10ClN3OS and a molecular weight of 267.74 g/mol. Its IUPAC name is 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
PubChem CID81226435
Molecular FormulaC11H10ClN3OS
Molecular Weight267.74 g/mol
Exact Mass267.02
IUPAC Name4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCc1nc(NC(=O)c2cnccc2Cl)sc1C
InChIInChI=1S/C11H10ClN3OS/c1-6-7(2)17-11(14-6)15-10(16)8-5-13-4-3-9(8)12/h3-5H,1-2H3,(H,14,15,16)
InChIKeyNPIMCQBLCFZSRO-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

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Related Compounds

2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide
CID 107024982
3-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 66484720
N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 693380
N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide;hydrochloride
CID 110756954
4-chloro-N-(thiatriazol-5-yl)pyridine-3-carboxamide
CID 114912098
5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-4-carboxamide
CID 114923155
5-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 55153633
5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propylamino)pyridine-4-carboxamide
CID 114923156
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzamide
CID 79769818
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-difluorobenzamide
CID 17399738
6-amino-5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 62185172
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 167069411

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide (CID 81226435) is 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide is Cc1nc(NC(=O)c2cnccc2Cl)sc1C.
What is the InChIKey of 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is NPIMCQBLCFZSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS/c1-6-7(2)17-11(14-6)15-10(16)8-5-13-4-3-9(8)12/h3-5H,1-2H3,(H,14,15,16).
What are the key properties of 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
4-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 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 81226435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).