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

C14H14Cl2N2OS — CID 46226253

IUPAC(2S)-2-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-methylbutanamide
SMILESCC(C)[C@H](C(=O)Nc1ncc(Cl)s1)c1ccc(Cl)cc1
InChIInChI=1S/C14H14Cl2N2OS/c1-8(2)12(9-3-5-10(15)6-4-9)13(19)18-14-17-7-11(16)20-14/h3-8,12H,1-2H3,(H,17,18,19)/t12-/m0/s1
InChIKeyCPDXIHHGJDEMTJ-LBPRGKRZSA-N
MW329.25 g/mol
LogP4.83
Rot. Bonds4

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

(2S)-2-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-methylbutanamide (PubChem CID 46226253) has the molecular formula C14H14Cl2N2OS and a molecular weight of 329.25 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-methylbutanamide
PubChem CID46226253
Molecular FormulaC14H14Cl2N2OS
Molecular Weight329.25 g/mol
Exact Mass328.02
IUPAC Name(2S)-2-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-methylbutanamide
SMILESCC(C)[C@H](C(=O)Nc1ncc(Cl)s1)c1ccc(Cl)cc1
InChIInChI=1S/C14H14Cl2N2OS/c1-8(2)12(9-3-5-10(15)6-4-9)13(19)18-14-17-7-11(16)20-14/h3-8,12H,1-2H3,(H,17,18,19)/t12-/m0/s1
InChIKeyCPDXIHHGJDEMTJ-LBPRGKRZSA-N
XLogP4.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 562362
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
3-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2915589
3-methyl-3-phenyl-N-(1,3-thiazol-2-yl)pentanamide
CID 3824898

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-methylbutanamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-methylbutanamide (CID 46226253) is (2S)-2-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-methylbutanamide is CC(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-methylbutanamide?
The InChIKey is CPDXIHHGJDEMTJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H14Cl2N2OS/c1-8(2)12(9-3-5-10(15)6-4-9)13(19)18-14-17-7-11(16)20-14/h3-8,12H,1-2H3,(H,17,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-methylbutanamide?
(2S)-2-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-methylbutanamide has a molecular weight of 329.25 g/mol, XLogP of 4.83, 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)-N-(5-chloro-1,3-thiazol-2-yl)-3-methylbutanamide is sourced from PubChem (CID 46226253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).