2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide

C16H19N3O2S2 — CID 46683483

IUPAC2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)C(C)Sc2nc(C)c(CC(N)=O)s2)c1
InChIInChI=1S/C16H19N3O2S2/c1-9-5-4-6-12(7-9)19-15(21)11(3)22-16-18-10(2)13(23-16)8-14(17)20/h4-7,11H,8H2,1-3H3,(H2,17,20)(H,19,21)
InChIKeyYIPCIXHUSADGLQ-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.91
Rot. Bonds6

About 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide

2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide (PubChem CID 46683483) has the molecular formula C16H19N3O2S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide
PubChem CID46683483
Molecular FormulaC16H19N3O2S2
Molecular Weight349.48 g/mol
Exact Mass349.09
IUPAC Name2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)C(C)Sc2nc(C)c(CC(N)=O)s2)c1
InChIInChI=1S/C16H19N3O2S2/c1-9-5-4-6-12(7-9)19-15(21)11(3)22-16-18-10(2)13(23-16)8-14(17)20/h4-7,11H,8H2,1-3H3,(H2,17,20)(H,19,21)
InChIKeyYIPCIXHUSADGLQ-UHFFFAOYSA-N
XLogP2.91
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)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

2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide
CID 24589907
2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide
CID 24589910
2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-phenylpropyl)propanamide
CID 46683509
2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-butan-2-ylphenyl)propanamide
CID 46683524
(2S)-2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-cycloheptylpropanamide
CID 51928928
(2S)-N-(3-acetylphenyl)-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 7377917
(2S)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide
CID 7753997
(2R)-2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 124730176
2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3962465
2-[2-[1-(4-chlorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide
CID 47068561
2-[4-methyl-2-[(1S)-1-phenylpropyl]sulfanyl-1,3-thiazol-5-yl]acetamide
CID 94801455
(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide
CID 7466965

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide?
The IUPAC name of 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide (CID 46683483) is 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide?
The canonical SMILES for 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)C(C)Sc2nc(C)c(CC(N)=O)s2)c1.
What is the InChIKey of 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide?
The InChIKey is YIPCIXHUSADGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S2/c1-9-5-4-6-12(7-9)19-15(21)11(3)22-16-18-10(2)13(23-16)8-14(17)20/h4-7,11H,8H2,1-3H3,(H2,17,20)(H,19,21).
What are the key properties of 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide?
2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide has a molecular weight of 349.48 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 46683483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).