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

C15H12ClN3OS — CID 47084109

IUPAC2-(3-chlorophenyl)-N-(1-cyanocyclobutyl)-1,3-thiazole-4-carboxamide
SMILESN#CC1(NC(=O)c2csc(-c3cccc(Cl)c3)n2)CCC1
InChIInChI=1S/C15H12ClN3OS/c16-11-4-1-3-10(7-11)14-18-12(8-21-14)13(20)19-15(9-17)5-2-6-15/h1,3-4,7-8H,2,5-6H2,(H,19,20)
InChIKeySJGPHIMZFBRETE-UHFFFAOYSA-N
MW317.80 g/mol
LogP3.64
Rot. Bonds3

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

2-(3-chlorophenyl)-N-(1-cyanocyclobutyl)-1,3-thiazole-4-carboxamide (PubChem CID 47084109) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(1-cyanocyclobutyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(1-cyanocyclobutyl)-1,3-thiazole-4-carboxamide
PubChem CID47084109
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC Name2-(3-chlorophenyl)-N-(1-cyanocyclobutyl)-1,3-thiazole-4-carboxamide
SMILESN#CC1(NC(=O)c2csc(-c3cccc(Cl)c3)n2)CCC1
InChIInChI=1S/C15H12ClN3OS/c16-11-4-1-3-10(7-11)14-18-12(8-21-14)13(20)19-15(9-17)5-2-6-15/h1,3-4,7-8H,2,5-6H2,(H,19,20)
InChIKeySJGPHIMZFBRETE-UHFFFAOYSA-N
XLogP3.64
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 46479944
4-chloro-N-(1-cyanocyclohexyl)pyridine-2-carboxamide
CID 78831230
2-(3-chlorophenyl)-N-[cyano-(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 56515004
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119457021
6-[[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
CID 119220176
N-(11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 166380786
2-acetamido-N-(1-cyanocyclohexyl)-1,3-thiazole-4-carboxamide
CID 87012099
N-(3-aminobutyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 119496862
N-(1-cyanocyclopentyl)-6-methylpyridine-2-carboxamide
CID 60727656
N-(1-cyanocyclobutyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 75427047
2-(3-chlorophenyl)-N-[(2S)-1-cyanopropan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide
CID 95145000
(2S)-3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-3-oxo-2-pyridin-2-ylpropanenitrile
CID 94217571

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(1-cyanocyclobutyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(1-cyanocyclobutyl)-1,3-thiazole-4-carboxamide (CID 47084109) is 2-(3-chlorophenyl)-N-(1-cyanocyclobutyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(1-cyanocyclobutyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(1-cyanocyclobutyl)-1,3-thiazole-4-carboxamide is N#CC1(NC(=O)c2csc(-c3cccc(Cl)c3)n2)CCC1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(1-cyanocyclobutyl)-1,3-thiazole-4-carboxamide?
The InChIKey is SJGPHIMZFBRETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c16-11-4-1-3-10(7-11)14-18-12(8-21-14)13(20)19-15(9-17)5-2-6-15/h1,3-4,7-8H,2,5-6H2,(H,19,20).
What are the key properties of 2-(3-chlorophenyl)-N-(1-cyanocyclobutyl)-1,3-thiazole-4-carboxamide?
2-(3-chlorophenyl)-N-(1-cyanocyclobutyl)-1,3-thiazole-4-carboxamide has a molecular weight of 317.80 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(1-cyanocyclobutyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 47084109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).