(2S)-2-amino-3,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butanamide;hydrochloride

C16H22ClN3OS — CID 119711400

IUPAC(2S)-2-amino-3,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butanamide;hydrochloride
SMILESCc1ccccc1-c1csc(NC(=O)[C@@H](N)C(C)(C)C)n1.Cl
InChIInChI=1S/C16H21N3OS.ClH/c1-10-7-5-6-8-11(10)12-9-21-15(18-12)19-14(20)13(17)16(2,3)4;/h5-9,13H,17H2,1-4H3,(H,18,19,20);1H/t13-;/m1./s1
InChIKeyAGIQRZFTNSWXJS-BTQNPOSSSA-N
MW339.89 g/mol
LogP3.85
Rot. Bonds3

About (2S)-2-amino-3,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butanamide;hydrochloride

(2S)-2-amino-3,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butanamide;hydrochloride (PubChem CID 119711400) has the molecular formula C16H22ClN3OS and a molecular weight of 339.89 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butanamide;hydrochloride
PubChem CID119711400
Molecular FormulaC16H22ClN3OS
Molecular Weight339.89 g/mol
Exact Mass339.12
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butanamide;hydrochloride
SMILESCc1ccccc1-c1csc(NC(=O)[C@@H](N)C(C)(C)C)n1.Cl
InChIInChI=1S/C16H21N3OS.ClH/c1-10-7-5-6-8-11(10)12-9-21-15(18-12)19-14(20)13(17)16(2,3)4;/h5-9,13H,17H2,1-4H3,(H,18,19,20);1H/t13-;/m1./s1
InChIKeyAGIQRZFTNSWXJS-BTQNPOSSSA-N
XLogP3.85
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.89
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-3,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butanamide;hydrochloride 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

(2S)-2-amino-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3,3-dimethylbutanamide
CID 119679944
(2S)-2-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide;hydrochloride
CID 119264489
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 39016403
(2S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3-dimethylbutanamide
CID 64557720
(2S)-2-amino-3,3-dimethyl-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670466
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
CID 3627689
2,6-dichloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 78868970
2,3-dichloro-N-[1-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 78897550
3-tert-butyl-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
CID 78897554
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 153333164
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119282737
2-cyano-3-(3,4-dihydroxyphenyl)-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 146190069

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butanamide;hydrochloride (CID 119711400) is (2S)-2-amino-3,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butanamide;hydrochloride is Cc1ccccc1-c1csc(NC(=O)[C@@H](N)C(C)(C)C)n1.Cl.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butanamide;hydrochloride?
The InChIKey is AGIQRZFTNSWXJS-BTQNPOSSSA-N. The full InChI is InChI=1S/C16H21N3OS.ClH/c1-10-7-5-6-8-11(10)12-9-21-15(18-12)19-14(20)13(17)16(2,3)4;/h5-9,13H,17H2,1-4H3,(H,18,19,20);1H/t13-;/m1./s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butanamide;hydrochloride?
(2S)-2-amino-3,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butanamide;hydrochloride has a molecular weight of 339.89 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butanamide;hydrochloride is sourced from PubChem (CID 119711400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).