(3S)-3-acetamido-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)propanamide

C17H21N3O3S — CID 29482131

IUPAC(3S)-3-acetamido-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc([C@H](CC(=O)Nc2nc(C)c(C)s2)NC(C)=O)cc1
InChIInChI=1S/C17H21N3O3S/c1-10-11(2)24-17(18-10)20-16(22)9-15(19-12(3)21)13-5-7-14(23-4)8-6-13/h5-8,15H,9H2,1-4H3,(H,19,21)(H,18,20,22)/t15-/m0/s1
InChIKeyQGPVCYCLXUZFHS-HNNXBMFYSA-N
MW347.44 g/mol
LogP2.97
Rot. Bonds6

About (3S)-3-acetamido-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)propanamide

(3S)-3-acetamido-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)propanamide (PubChem CID 29482131) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is (3S)-3-acetamido-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(3S)-3-acetamido-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)propanamide
PubChem CID29482131
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name(3S)-3-acetamido-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc([C@H](CC(=O)Nc2nc(C)c(C)s2)NC(C)=O)cc1
InChIInChI=1S/C17H21N3O3S/c1-10-11(2)24-17(18-10)20-16(22)9-15(19-12(3)21)13-5-7-14(23-4)8-6-13/h5-8,15H,9H2,1-4H3,(H,19,21)(H,18,20,22)/t15-/m0/s1
InChIKeyQGPVCYCLXUZFHS-HNNXBMFYSA-N
XLogP2.97
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-3-acetamido-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)propanamide 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

3-acetamido-3-(4-methoxyphenyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 134011351
3-acetamido-3-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 55487655
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 8797725
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-pyridin-2-ylpropanamide
CID 29466251
3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
CID 46689011
3-acetamido-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide
CID 134012182
(3S)-3-acetamido-N-(2,6-diethylphenyl)-3-(4-methoxyphenyl)propanamide
CID 40812809
3-acetamido-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 78805825
3-acetamido-N-(2-ethylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17436555
(3R)-3-acetamido-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
CID 30685077
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-methylsulfonylpropanamide
CID 95133505
3-acetamido-N-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)propanamide
CID 51309529

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of (3S)-3-acetamido-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)propanamide (CID 29482131) is (3S)-3-acetamido-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for (3S)-3-acetamido-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for (3S)-3-acetamido-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)propanamide is COc1ccc([C@H](CC(=O)Nc2nc(C)c(C)s2)NC(C)=O)cc1.
What is the InChIKey of (3S)-3-acetamido-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is QGPVCYCLXUZFHS-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-10-11(2)24-17(18-10)20-16(22)9-15(19-12(3)21)13-5-7-14(23-4)8-6-13/h5-8,15H,9H2,1-4H3,(H,19,21)(H,18,20,22)/t15-/m0/s1.
What are the key properties of (3S)-3-acetamido-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)propanamide?
(3S)-3-acetamido-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 347.44 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetamido-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 29482131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).