N-[(1S)-1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-2-carboxamide

C14H15ClN2OS — CID 46225341

IUPACN-[(1S)-1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1nccs1)c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2OS/c1-9(2)12(10-3-5-11(15)6-4-10)17-13(18)14-16-7-8-19-14/h3-9,12H,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyANKYYXZDVDOIMS-LBPRGKRZSA-N
MW294.81 g/mol
LogP3.92
Rot. Bonds4

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

N-[(1S)-1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-2-carboxamide (PubChem CID 46225341) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-2-carboxamide
PubChem CID46225341
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC NameN-[(1S)-1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1nccs1)c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2OS/c1-9(2)12(10-3-5-11(15)6-4-10)17-13(18)14-16-7-8-19-14/h3-9,12H,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyANKYYXZDVDOIMS-LBPRGKRZSA-N
XLogP3.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 1973551
2-acetamido-N-benzyl-2-(1,3-thiazol-2-yl)acetamide
CID 14978593
2-amino-N-benzyl-2-(1,3-thiazol-2-yl)acetamide
CID 60168007
N-[2-(4-chlorophenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443299
N-[2-(4-chlorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 2883503
N4-[2-(4-chlorophenyl)ethyl]-N2-ethyl-1,3-thiazole-2,4-dicarboxamide
CID 49666223
(1S)-1-(2,4-dichlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 93671968
N-[(3,5-difluorophenyl)methyl]-1,3-thiazole-2-carboxamide
CID 17816062
N-[(2R)-1-amino-1-oxopropan-2-yl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide
CID 148207214
N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-2-fluorocyclohexyl]-1,3-thiazole-2-carboxamide
CID 175603544
N-[4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-2-fluorocyclohexyl]-1,3-thiazole-2-carboxamide
CID 175603547
2-(2-Chloro-6-fluorophenyl)-2-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 175978206

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-2-carboxamide (CID 46225341) is N-[(1S)-1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-2-carboxamide is CC(C)[C@H](NC(=O)c1nccs1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-2-carboxamide?
The InChIKey is ANKYYXZDVDOIMS-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-9(2)12(10-3-5-11(15)6-4-10)17-13(18)14-16-7-8-19-14/h3-9,12H,1-2H3,(H,17,18)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-2-carboxamide?
N-[(1S)-1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-2-carboxamide has a molecular weight of 294.81 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 46225341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).