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

C14H17ClN2OS — CID 2520490

IUPAC(2S)-2-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide
SMILESCC(C)[C@H](C(=O)NC1=NCCS1)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2OS/c1-9(2)12(10-3-5-11(15)6-4-10)13(18)17-14-16-7-8-19-14/h3-6,9,12H,7-8H2,1-2H3,(H,16,17,18)/t12-/m0/s1
InChIKeyBDZXBWOFMCKTQQ-LBPRGKRZSA-N
MW296.82 g/mol
LogP3.30
Rot. Bonds3

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

(2S)-2-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide (PubChem CID 2520490) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide
PubChem CID2520490
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name(2S)-2-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide
SMILESCC(C)[C@H](C(=O)NC1=NCCS1)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2OS/c1-9(2)12(10-3-5-11(15)6-4-10)13(18)17-14-16-7-8-19-14/h3-6,9,12H,7-8H2,1-2H3,(H,16,17,18)/t12-/m0/s1
InChIKeyBDZXBWOFMCKTQQ-LBPRGKRZSA-N
XLogP3.30
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(4-chlorophenyl)-N-(4,5-dihydro-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

Benzamide, 4-chloro-N-(4,5-dihydro-2-thiazolyl)-
CID 924611
2-(2,6-dichlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 825146
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylpentanamide
CID 4877567
2-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide
CID 4875224
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylacetamide
CID 2796389
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propanamide
CID 47242079
2-(2-chloro-6-fluorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 2541496
2-(4-Chlorophenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone
CID 4415633
Propionamide, N-(4,5-dihydro-2-thiazolyl)-2-(4-isobutylphenyl)-
CID 3042317
2H-1,3-Thiazin-4(3H)-one, 5,6-dihydro-6-(p-chlorophenyl)-5-ethyl-3-methyl-2-methylimino-, hydrobromide
CID 3057264
(2S)-2-(4-chlorophenyl)-3-methyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)butanamide
CID 135971436
(2Z)-5-(4-chlorophenyl)-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135509611

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide (CID 2520490) is (2S)-2-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide is CC(C)[C@H](C(=O)NC1=NCCS1)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide?
The InChIKey is BDZXBWOFMCKTQQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c1-9(2)12(10-3-5-11(15)6-4-10)13(18)17-14-16-7-8-19-14/h3-6,9,12H,7-8H2,1-2H3,(H,16,17,18)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide?
(2S)-2-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide has a molecular weight of 296.82 g/mol, XLogP of 3.30, 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-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide is sourced from PubChem (CID 2520490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).