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

C16H18ClN3O2S — CID 58505492

IUPAC2-(4-chlorophenyl)-N-[(2S)-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCCC[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)NC
InChIInChI=1S/C16H18ClN3O2S/c1-3-4-12(14(21)18-2)19-15(22)13-9-23-16(20-13)10-5-7-11(17)8-6-10/h5-9,12H,3-4H2,1-2H3,(H,18,21)(H,19,22)/t12-/m0/s1
InChIKeyXEXLEARYCQYJSV-LBPRGKRZSA-N
MW351.86 g/mol
LogP3.11
Rot. Bonds6

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

2-(4-chlorophenyl)-N-[(2S)-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 58505492) has the molecular formula C16H18ClN3O2S and a molecular weight of 351.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(2S)-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(2S)-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID58505492
Molecular FormulaC16H18ClN3O2S
Molecular Weight351.86 g/mol
Exact Mass351.08
IUPAC Name2-(4-chlorophenyl)-N-[(2S)-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCCC[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)NC
InChIInChI=1S/C16H18ClN3O2S/c1-3-4-12(14(21)18-2)19-15(22)13-9-23-16(20-13)10-5-7-11(17)8-6-10/h5-9,12H,3-4H2,1-2H3,(H,18,21)(H,19,22)/t12-/m0/s1
InChIKeyXEXLEARYCQYJSV-LBPRGKRZSA-N
XLogP3.11
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 26467798
N-(2-aminoethyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 39162463
2-(4-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120827406
2-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 119508471
2-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 24670372
2-(4-chlorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 47028512
1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropan-1-one
CID 58782173
8-chloro-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]quinoline-2-carboxamide
CID 99926856
(3S)-3-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-(2,4-dichlorophenyl)propanoic acid
CID 71239914
3-(2-chlorophenyl)-3-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 71240031
2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 26736860
(2R)-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]-3-sulfanylpropanoic acid
CID 71417855

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(2S)-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(2S)-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide (CID 58505492) is 2-(4-chlorophenyl)-N-[(2S)-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(2S)-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(2S)-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide is CCC[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)NC.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(2S)-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is XEXLEARYCQYJSV-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18ClN3O2S/c1-3-4-12(14(21)18-2)19-15(22)13-9-23-16(20-13)10-5-7-11(17)8-6-10/h5-9,12H,3-4H2,1-2H3,(H,18,21)(H,19,22)/t12-/m0/s1.
What are the key properties of 2-(4-chlorophenyl)-N-[(2S)-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide?
2-(4-chlorophenyl)-N-[(2S)-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 351.86 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(2S)-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58505492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).