2-(2-methylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone

C12H13NOS2 — CID 82119544

IUPAC2-(2-methylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
SMILESCc1ccccc1CC(=O)N1CCSC1=S
InChIInChI=1S/C12H13NOS2/c1-9-4-2-3-5-10(9)8-11(14)13-6-7-16-12(13)15/h2-5H,6-8H2,1H3
InChIKeyOZGHGOSYXJUNJG-UHFFFAOYSA-N
MW251.38 g/mol
LogP2.40
Rot. Bonds2

About 2-(2-methylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone

2-(2-methylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone (PubChem CID 82119544) has the molecular formula C12H13NOS2 and a molecular weight of 251.38 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
PubChem CID82119544
Molecular FormulaC12H13NOS2
Molecular Weight251.38 g/mol
Exact Mass251.04
IUPAC Name2-(2-methylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
SMILESCc1ccccc1CC(=O)N1CCSC1=S
InChIInChI=1S/C12H13NOS2/c1-9-4-2-3-5-10(9)8-11(14)13-6-7-16-12(13)15/h2-5H,6-8H2,1H3
InChIKeyOZGHGOSYXJUNJG-UHFFFAOYSA-N
XLogP2.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-methylphenyl)-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

1-(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(2-methylphenyl)ethanone
CID 61038021
2-(4-propan-2-ylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
CID 94288730
2-phenylmethoxy-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
CID 13289317
1,8-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)octane-1,8-dione
CID 15499833
2-(2-methoxyethoxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
CID 88869518
2-naphthalen-2-yloxy-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
CID 11012135
1-(4-aminopiperidin-1-yl)-2-(2-methylphenyl)ethanone;hydrochloride
CID 119164426
3-(dimethylamino)-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110666193
3-amino-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 119311717
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2-methylphenyl)ethanone
CID 80706813
[2-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)phenyl]methyl benzoate
CID 176762017
2-(2-methylphenyl)acetic acid
CID 67440217

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone?
The IUPAC name of 2-(2-methylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone (CID 82119544) is 2-(2-methylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone.
What is the SMILES notation for 2-(2-methylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone?
The canonical SMILES for 2-(2-methylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone is Cc1ccccc1CC(=O)N1CCSC1=S.
What is the InChIKey of 2-(2-methylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone?
The InChIKey is OZGHGOSYXJUNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS2/c1-9-4-2-3-5-10(9)8-11(14)13-6-7-16-12(13)15/h2-5H,6-8H2,1H3.
What are the key properties of 2-(2-methylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone?
2-(2-methylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone has a molecular weight of 251.38 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone is sourced from PubChem (CID 82119544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).