3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-phenylsulfanylethyl)propanamide

C15H18N2O2S2 — CID 27164511

IUPAC3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-phenylsulfanylethyl)propanamide
SMILESCc1csc(=O)n1CCC(=O)NCCSc1ccccc1
InChIInChI=1S/C15H18N2O2S2/c1-12-11-21-15(19)17(12)9-7-14(18)16-8-10-20-13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3,(H,16,18)
InChIKeyUAXBVMGMAGRYKY-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.52
Rot. Bonds7

About 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-phenylsulfanylethyl)propanamide

3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-phenylsulfanylethyl)propanamide (PubChem CID 27164511) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-phenylsulfanylethyl)propanamide.

Molecular Properties

Compound Name3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-phenylsulfanylethyl)propanamide
PubChem CID27164511
Molecular FormulaC15H18N2O2S2
Molecular Weight322.45 g/mol
Exact Mass322.08
IUPAC Name3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-phenylsulfanylethyl)propanamide
SMILESCc1csc(=O)n1CCC(=O)NCCSc1ccccc1
InChIInChI=1S/C15H18N2O2S2/c1-12-11-21-15(19)17(12)9-7-14(18)16-8-10-20-13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3,(H,16,18)
InChIKeyUAXBVMGMAGRYKY-UHFFFAOYSA-N
XLogP2.52
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-phenylsulfanylethyl)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-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-phenoxybutyl)propanamide
CID 17429509
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 17471212
4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]butanoic acid
CID 119352737
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(2S)-2-phenylpropyl]propanamide
CID 29225382
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 39302058
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N',N'-diphenylpropanehydrazide
CID 55436719
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 103800672
N-[[2-(methoxymethyl)phenyl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 32605316
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide
CID 55863625
4-methyl-3-(3-oxo-3-phenylpropyl)-1,3-thiazol-2-one
CID 116691894
4-oxo-4-(2-phenylsulfanylethylamino)butanoic acid
CID 54881086
4-methyl-3-[2-(4-methylphenyl)sulfanylethyl]-1,3-thiazol-2-one
CID 86908727

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-phenylsulfanylethyl)propanamide?
The IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-phenylsulfanylethyl)propanamide (CID 27164511) is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-phenylsulfanylethyl)propanamide.
What is the SMILES notation for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-phenylsulfanylethyl)propanamide?
The canonical SMILES for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-phenylsulfanylethyl)propanamide is Cc1csc(=O)n1CCC(=O)NCCSc1ccccc1.
What is the InChIKey of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-phenylsulfanylethyl)propanamide?
The InChIKey is UAXBVMGMAGRYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-12-11-21-15(19)17(12)9-7-14(18)16-8-10-20-13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3,(H,16,18).
What are the key properties of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-phenylsulfanylethyl)propanamide?
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-phenylsulfanylethyl)propanamide has a molecular weight of 322.45 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-phenylsulfanylethyl)propanamide is sourced from PubChem (CID 27164511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).