(2S)-2-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3,3-dimethylbutanamide

C15H16Cl2N2OS — CID 46226274

IUPAC(2S)-2-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](C(=O)Nc1ncc(Cl)s1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16Cl2N2OS/c1-15(2,3)12(9-4-6-10(16)7-5-9)13(20)19-14-18-8-11(17)21-14/h4-8,12H,1-3H3,(H,18,19,20)/t12-/m0/s1
InChIKeyBGHIUGMVXLYQHX-LBPRGKRZSA-N
MW343.28 g/mol
LogP5.22
Rot. Bonds3

About (2S)-2-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3,3-dimethylbutanamide

(2S)-2-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3,3-dimethylbutanamide (PubChem CID 46226274) has the molecular formula C15H16Cl2N2OS and a molecular weight of 343.28 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3,3-dimethylbutanamide
PubChem CID46226274
Molecular FormulaC15H16Cl2N2OS
Molecular Weight343.28 g/mol
Exact Mass342.04
IUPAC Name(2S)-2-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](C(=O)Nc1ncc(Cl)s1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16Cl2N2OS/c1-15(2,3)12(9-4-6-10(16)7-5-9)13(20)19-14-18-8-11(17)21-14/h4-8,12H,1-3H3,(H,18,19,20)/t12-/m0/s1
InChIKeyBGHIUGMVXLYQHX-LBPRGKRZSA-N
XLogP5.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.28
LogP ≤ 55.22
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
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
3-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2915589
3-methyl-3-phenyl-N-(1,3-thiazol-2-yl)pentanamide
CID 3824898
2-(4-chlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 2905580
2-methyl-2-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 2084159

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3,3-dimethylbutanamide (CID 46226274) is (2S)-2-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3,3-dimethylbutanamide is CC(C)(C)[C@H](C(=O)Nc1ncc(Cl)s1)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3,3-dimethylbutanamide?
The InChIKey is BGHIUGMVXLYQHX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16Cl2N2OS/c1-15(2,3)12(9-4-6-10(16)7-5-9)13(20)19-14-18-8-11(17)21-14/h4-8,12H,1-3H3,(H,18,19,20)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3,3-dimethylbutanamide?
(2S)-2-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3,3-dimethylbutanamide has a molecular weight of 343.28 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 46226274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).