2-(4-propan-2-ylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone

C14H17NOS2 — CID 94288730

IUPAC2-(4-propan-2-ylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
SMILESCC(C)c1ccc(CC(=O)N2CCSC2=S)cc1
InChIInChI=1S/C14H17NOS2/c1-10(2)12-5-3-11(4-6-12)9-13(16)15-7-8-18-14(15)17/h3-6,10H,7-9H2,1-2H3
InChIKeyXWTNQAUYKMKMCR-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.21
Rot. Bonds3

About 2-(4-propan-2-ylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone

2-(4-propan-2-ylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone (PubChem CID 94288730) has the molecular formula C14H17NOS2 and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
PubChem CID94288730
Molecular FormulaC14H17NOS2
Molecular Weight279.43 g/mol
Exact Mass279.08
IUPAC Name2-(4-propan-2-ylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
SMILESCC(C)c1ccc(CC(=O)N2CCSC2=S)cc1
InChIInChI=1S/C14H17NOS2/c1-10(2)12-5-3-11(4-6-12)9-13(16)15-7-8-18-14(15)17/h3-6,10H,7-9H2,1-2H3
InChIKeyXWTNQAUYKMKMCR-UHFFFAOYSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-propan-2-ylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone 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-(2-methylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
CID 82119544
1,8-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)octane-1,8-dione
CID 15499833
1-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 110802073
1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide
CID 155958808
2-(2-methoxyethoxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
CID 88869518
2-(4-ethoxyphenyl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
CID 108569229
1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 110815393
3-methyl-3-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-2-one
CID 79051555
2-(4-propan-2-ylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone
CID 58145380
1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 62620617
N-(2,2-dimethylpropyl)-2-methyl-1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide
CID 46948481
(2R,3R)-2-methyl-3-phenyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)-3-triethylsilyloxypropan-1-one
CID 101257345

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone?
The IUPAC name of 2-(4-propan-2-ylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone (CID 94288730) is 2-(4-propan-2-ylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone?
The canonical SMILES for 2-(4-propan-2-ylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone is CC(C)c1ccc(CC(=O)N2CCSC2=S)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone?
The InChIKey is XWTNQAUYKMKMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS2/c1-10(2)12-5-3-11(4-6-12)9-13(16)15-7-8-18-14(15)17/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone?
2-(4-propan-2-ylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone has a molecular weight of 279.43 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone is sourced from PubChem (CID 94288730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).