2-(3-chlorophenyl)-N-[(2S)-1-cyanopropan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide

C15H14ClN3OS — CID 95145000

IUPAC2-(3-chlorophenyl)-N-[(2S)-1-cyanopropan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESC[C@@H](CC#N)N(C)C(=O)c1csc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C15H14ClN3OS/c1-10(6-7-17)19(2)15(20)13-9-21-14(18-13)11-4-3-5-12(16)8-11/h3-5,8-10H,6H2,1-2H3/t10-/m0/s1
InChIKeyRGVBPWXXLDRBFY-JTQLQIEISA-N
MW319.82 g/mol
LogP3.84
Rot. Bonds4

About 2-(3-chlorophenyl)-N-[(2S)-1-cyanopropan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide

2-(3-chlorophenyl)-N-[(2S)-1-cyanopropan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 95145000) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[(2S)-1-cyanopropan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[(2S)-1-cyanopropan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID95145000
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC Name2-(3-chlorophenyl)-N-[(2S)-1-cyanopropan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESC[C@@H](CC#N)N(C)C(=O)c1csc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C15H14ClN3OS/c1-10(6-7-17)19(2)15(20)13-9-21-14(18-13)11-4-3-5-12(16)8-11/h3-5,8-10H,6H2,1-2H3/t10-/m0/s1
InChIKeyRGVBPWXXLDRBFY-JTQLQIEISA-N
XLogP3.84
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butan-2-yl-[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 119954742
2-(3-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 111543202
6-chloro-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide
CID 63224800
3-[[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207587
N-(1-aminopropan-2-yl)-2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119584366
2-(3-chlorophenyl)-N-(1-cyanopropan-2-yl)-N-methylacetamide
CID 63224955
N-(3-aminobutyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 119496862
N-butyl-2-(3-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 52789665
2-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 55388630
2-(3-chlorophenyl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119824421
2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide
CID 42866055
(4-methoxyphenyl) 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[(2S)-1-cyanopropan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[(2S)-1-cyanopropan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide (CID 95145000) is 2-(3-chlorophenyl)-N-[(2S)-1-cyanopropan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[(2S)-1-cyanopropan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[(2S)-1-cyanopropan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide is C[C@@H](CC#N)N(C)C(=O)c1csc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[(2S)-1-cyanopropan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is RGVBPWXXLDRBFY-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14ClN3OS/c1-10(6-7-17)19(2)15(20)13-9-21-14(18-13)11-4-3-5-12(16)8-11/h3-5,8-10H,6H2,1-2H3/t10-/m0/s1.
What are the key properties of 2-(3-chlorophenyl)-N-[(2S)-1-cyanopropan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide?
2-(3-chlorophenyl)-N-[(2S)-1-cyanopropan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 319.82 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[(2S)-1-cyanopropan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 95145000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).