(2S)-2-(4-chlorophenyl)-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide

C15H17ClN2OS — CID 2397905

IUPAC(2S)-2-(4-chlorophenyl)-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)s1
InChIInChI=1S/C15H17ClN2OS/c1-9(2)13(11-4-6-12(16)7-5-11)14(19)18-15-17-8-10(3)20-15/h4-9,13H,1-3H3,(H,17,18,19)/t13-/m0/s1
InChIKeyDFTNXSBJYPSRAQ-ZDUSSCGKSA-N
MW308.83 g/mol
LogP4.48
Rot. Bonds4

About (2S)-2-(4-chlorophenyl)-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide

(2S)-2-(4-chlorophenyl)-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 2397905) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID2397905
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name(2S)-2-(4-chlorophenyl)-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)s1
InChIInChI=1S/C15H17ClN2OS/c1-9(2)13(11-4-6-12(16)7-5-11)14(19)18-15-17-8-10(3)20-15/h4-9,13H,1-3H3,(H,17,18,19)/t13-/m0/s1
InChIKeyDFTNXSBJYPSRAQ-ZDUSSCGKSA-N
XLogP4.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-3-methyl-N-(thiazol-2-yl)butanamide
CID 4307629
(2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)butanamide
CID 854189
(S)-4-Cmtb
CID 46226252
(2S)-2-(4-chlorophenyl)-3,3-dimethyl-N-(5-phenyl-1,3-thiazol-2-yl)butanamide
CID 46226294
Propionamide, 2-(4-isobutylphenyl)-N-(2-thiazolyl)-
CID 3042319
2-(2-chloro-6-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 1241668
N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 2083675
1-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 2462314
2-(2-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2673027
2-(3,4-dimethylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2673045
3-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2915589
(4-Chlorophenyl)[2-(methylamino)-1,3-thiazol-5-yl]methanone
CID 1485897

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide (CID 2397905) is (2S)-2-(4-chlorophenyl)-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide is Cc1cnc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)s1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is DFTNXSBJYPSRAQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-9(2)13(11-4-6-12(16)7-5-11)14(19)18-15-17-8-10(3)20-15/h4-9,13H,1-3H3,(H,17,18,19)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
(2S)-2-(4-chlorophenyl)-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 308.83 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 2397905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).