N-[(4-chloro-2-pyridinyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide

C11H10ClN3OS — CID 75501226

IUPACN-[(4-chloro-2-pyridinyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)NCc1cc(Cl)ccn1
InChIInChI=1S/C11H10ClN3OS/c1-7-10(6-17-15-7)11(16)14-5-9-4-8(12)2-3-13-9/h2-4,6H,5H2,1H3,(H,14,16)
InChIKeyUEQGPPQCWJKXFG-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.43
Rot. Bonds3

About N-[(4-chloro-2-pyridinyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide

N-[(4-chloro-2-pyridinyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide (PubChem CID 75501226) has the molecular formula C11H10ClN3OS and a molecular weight of 267.74 g/mol. Its IUPAC name is N-[(4-chloro-2-pyridinyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-2-pyridinyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide
PubChem CID75501226
Molecular FormulaC11H10ClN3OS
Molecular Weight267.74 g/mol
Exact Mass267.02
IUPAC NameN-[(4-chloro-2-pyridinyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)NCc1cc(Cl)ccn1
InChIInChI=1S/C11H10ClN3OS/c1-7-10(6-17-15-7)11(16)14-5-9-4-8(12)2-3-13-9/h2-4,6H,5H2,1H3,(H,14,16)
InChIKeyUEQGPPQCWJKXFG-UHFFFAOYSA-N
XLogP2.43
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-chloro-2-pyridinyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 86786211
1-[(4-chloro-2-pyridinyl)methyl]-3-ethylurea
CID 97257516
1-[(4-chloro-2-pyridinyl)methyl]-3-[(2R)-3-methylbutan-2-yl]urea
CID 97352959
N-(2-bromoprop-2-enyl)-3-methyl-1,2-thiazole-4-carboxamide
CID 131207229
3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide
CID 154837608
(3S)-N-[(4-chloro-2-pyridinyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
CID 97336644
3-amino-N-[(4-chloro-2-pyridinyl)methyl]-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide
CID 145085853
2-bromo-4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 113257504
4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide
CID 9401789
1-(4-chloro-2-pyridinyl)propan-2-one
CID 68541993
4-chloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 81226586
4-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 55081452

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-pyridinyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of N-[(4-chloro-2-pyridinyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide (CID 75501226) is N-[(4-chloro-2-pyridinyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-[(4-chloro-2-pyridinyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-[(4-chloro-2-pyridinyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide is Cc1nscc1C(=O)NCc1cc(Cl)ccn1.
What is the InChIKey of N-[(4-chloro-2-pyridinyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is UEQGPPQCWJKXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS/c1-7-10(6-17-15-7)11(16)14-5-9-4-8(12)2-3-13-9/h2-4,6H,5H2,1H3,(H,14,16).
What are the key properties of N-[(4-chloro-2-pyridinyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide?
N-[(4-chloro-2-pyridinyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 267.74 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-pyridinyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 75501226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).