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

C12H12ClN3OS — CID 81226552

IUPAC4-chloro-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NCCc2nccs2)cn1
InChIInChI=1S/C12H12ClN3OS/c1-8-6-10(13)9(7-16-8)12(17)15-3-2-11-14-4-5-18-11/h4-7H,2-3H2,1H3,(H,15,17)
InChIKeyOYEKQAMTBJWVIE-UHFFFAOYSA-N
MW281.77 g/mol
LogP2.47
Rot. Bonds4

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

4-chloro-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide (PubChem CID 81226552) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is 4-chloro-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
PubChem CID81226552
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC Name4-chloro-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NCCc2nccs2)cn1
InChIInChI=1S/C12H12ClN3OS/c1-8-6-10(13)9(7-16-8)12(17)15-3-2-11-14-4-5-18-11/h4-7H,2-3H2,1H3,(H,15,17)
InChIKeyOYEKQAMTBJWVIE-UHFFFAOYSA-N
XLogP2.47
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydrazinyl-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 81255966
4-(ethylamino)-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 81241331
4-chloro-N-[2-(3-chlorophenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81225265
4-chloro-6-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 103894105
4-chloro-N-(3-methoxypropyl)-6-methylpyridine-3-carboxamide
CID 81225395
N-(4-amino-4-oxobutyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81226130
4-chloro-N-decyl-6-methylpyridine-3-carboxamide
CID 81227523
4-chloro-N-[2-(3-fluorophenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81226046
4-chloro-6-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 81226293
6-methyl-4-(methylamino)-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
CID 81240074
2-[2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]ethoxy]acetic acid
CID 114036991
4-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 62186873

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide (CID 81226552) is 4-chloro-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)NCCc2nccs2)cn1.
What is the InChIKey of 4-chloro-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is OYEKQAMTBJWVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS/c1-8-6-10(13)9(7-16-8)12(17)15-3-2-11-14-4-5-18-11/h4-7H,2-3H2,1H3,(H,15,17).
What are the key properties of 4-chloro-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide?
4-chloro-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 281.77 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 81226552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).