2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide

C13H11ClN2OS — CID 26736860

IUPAC2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CC1)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H11ClN2OS/c14-9-3-1-8(2-4-9)13-16-11(7-18-13)12(17)15-10-5-6-10/h1-4,7,10H,5-6H2,(H,15,17)
InChIKeyQJXFEKOCBDACGR-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.36
Rot. Bonds3

About 2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide

2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide (PubChem CID 26736860) has the molecular formula C13H11ClN2OS and a molecular weight of 278.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide
PubChem CID26736860
Molecular FormulaC13H11ClN2OS
Molecular Weight278.76 g/mol
Exact Mass278.03
IUPAC Name2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CC1)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H11ClN2OS/c14-9-3-1-8(2-4-9)13-16-11(7-18-13)12(17)15-10-5-6-10/h1-4,7,10H,5-6H2,(H,15,17)
InChIKeyQJXFEKOCBDACGR-UHFFFAOYSA-N
XLogP3.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676152
2-(4-chlorophenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 46455913
N-(4-hydroxycyclohexyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 78810994
4-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229160
2-(4-chlorophenyl)-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 46565883
N-[1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide
CID 34424164
N-(2-aminoethyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 39162463
2-(4-chlorophenyl)-N-[(3S)-2-oxoazepan-3-yl]-1,3-thiazole-4-carboxamide
CID 51943430
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18163813
N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 27673424
2-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119453994
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-cyclooctylacetamide
CID 39084543

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide (CID 26736860) is 2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide is O=C(NC1CC1)c1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide?
The InChIKey is QJXFEKOCBDACGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2OS/c14-9-3-1-8(2-4-9)13-16-11(7-18-13)12(17)15-10-5-6-10/h1-4,7,10H,5-6H2,(H,15,17).
What are the key properties of 2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide?
2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide has a molecular weight of 278.76 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 26736860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).