1-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2,2-diphenylethanone

C22H21NOS2 — CID 4575525

IUPAC1-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2,2-diphenylethanone
SMILESCc1ccc(C2SCCN2C(=O)C(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C22H21NOS2/c1-16-12-13-19(26-16)22-23(14-15-25-22)21(24)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,20,22H,14-15H2,1H3
InChIKeyDSFYOIZHZTXHKL-UHFFFAOYSA-N
MW379.55 g/mol
LogP5.46
Rot. Bonds4

About 1-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2,2-diphenylethanone

1-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2,2-diphenylethanone (PubChem CID 4575525) has the molecular formula C22H21NOS2 and a molecular weight of 379.55 g/mol. Its IUPAC name is 1-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2,2-diphenylethanone
PubChem CID4575525
Molecular FormulaC22H21NOS2
Molecular Weight379.55 g/mol
Exact Mass379.11
IUPAC Name1-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2,2-diphenylethanone
SMILESCc1ccc(C2SCCN2C(=O)C(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C22H21NOS2/c1-16-12-13-19(26-16)22-23(14-15-25-22)21(24)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,20,22H,14-15H2,1H3
InChIKeyDSFYOIZHZTXHKL-UHFFFAOYSA-N
XLogP5.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.55
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2,2-diphenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2,2-diphenylethanone (CID 4575525) is 1-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2,2-diphenylethanone is Cc1ccc(C2SCCN2C(=O)C(c2ccccc2)c2ccccc2)s1.
What is the InChIKey of 1-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2,2-diphenylethanone?
The InChIKey is DSFYOIZHZTXHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NOS2/c1-16-12-13-19(26-16)22-23(14-15-25-22)21(24)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,20,22H,14-15H2,1H3.
What are the key properties of 1-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2,2-diphenylethanone?
1-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2,2-diphenylethanone has a molecular weight of 379.55 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2,2-diphenylethanone is sourced from PubChem (CID 4575525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).