(2S)-2-(4-chlorophenyl)-N,3-dimethyl-N-(1,3-thiazol-2-yl)butanamide

C15H17ClN2OS — CID 46225340

IUPAC(2S)-2-(4-chlorophenyl)-N,3-dimethyl-N-(1,3-thiazol-2-yl)butanamide
SMILESCC(C)[C@H](C(=O)N(C)c1nccs1)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2OS/c1-10(2)13(11-4-6-12(16)7-5-11)14(19)18(3)15-17-8-9-20-15/h4-10,13H,1-3H3/t13-/m0/s1
InChIKeyFHRQEYFDOUTGNL-ZDUSSCGKSA-N
MW308.83 g/mol
LogP4.20
Rot. Bonds4

About (2S)-2-(4-chlorophenyl)-N,3-dimethyl-N-(1,3-thiazol-2-yl)butanamide

(2S)-2-(4-chlorophenyl)-N,3-dimethyl-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 46225340) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-N,3-dimethyl-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-N,3-dimethyl-N-(1,3-thiazol-2-yl)butanamide
PubChem CID46225340
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name(2S)-2-(4-chlorophenyl)-N,3-dimethyl-N-(1,3-thiazol-2-yl)butanamide
SMILESCC(C)[C@H](C(=O)N(C)c1nccs1)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2OS/c1-10(2)13(11-4-6-12(16)7-5-11)14(19)18(3)15-17-8-9-20-15/h4-10,13H,1-3H3/t13-/m0/s1
InChIKeyFHRQEYFDOUTGNL-ZDUSSCGKSA-N
XLogP4.20
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N,N,3-trimethylbutanamide
CID 60653268
N-methyl-N-(1,3-thiazol-2-yl)carbamoyl chloride
CID 119090287
2-[[2-(4-chlorophenyl)-3-methylbutanoyl]-methylamino]propanoic acid
CID 62627629
3-chloro-N-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 110723358
2-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)-3-methylbutanamide
CID 60653667
(2S)-2-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 46226333
azane;(2R)-2-(4-chlorophenyl)-3-methylbutanoic acid
CID 70402898
2-(4-chlorophenyl)-3-methylbutanethioic S-acid
CID 12774585
6-chloro-N-methyl-N-(1,3-thiazol-2-yl)-1H-indole-2-carboxamide
CID 86768422
1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 51932156
lithium 2-(4-chlorophenyl)-3-methylbutanoate
CID 139900387
(3R)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 42117371

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-N,3-dimethyl-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-N,3-dimethyl-N-(1,3-thiazol-2-yl)butanamide (CID 46225340) is (2S)-2-(4-chlorophenyl)-N,3-dimethyl-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-N,3-dimethyl-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-N,3-dimethyl-N-(1,3-thiazol-2-yl)butanamide is CC(C)[C@H](C(=O)N(C)c1nccs1)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-N,3-dimethyl-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is FHRQEYFDOUTGNL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-10(2)13(11-4-6-12(16)7-5-11)14(19)18(3)15-17-8-9-20-15/h4-10,13H,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-N,3-dimethyl-N-(1,3-thiazol-2-yl)butanamide?
(2S)-2-(4-chlorophenyl)-N,3-dimethyl-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 308.83 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-N,3-dimethyl-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 46225340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).