(4-methoxyphenyl)-(2-phenyl-1,3-thiazolidin-4-yl)methanone

C17H17NO2S — CID 69035805

IUPAC(4-methoxyphenyl)-(2-phenyl-1,3-thiazolidin-4-yl)methanone
SMILESCOc1ccc(C(=O)C2CSC(c3ccccc3)N2)cc1
InChIInChI=1S/C17H17NO2S/c1-20-14-9-7-12(8-10-14)16(19)15-11-21-17(18-15)13-5-3-2-4-6-13/h2-10,15,17-18H,11H2,1H3
InChIKeyDLYATOOTWLTFCH-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.28
Rot. Bonds4

About (4-methoxyphenyl)-(2-phenyl-1,3-thiazolidin-4-yl)methanone

(4-methoxyphenyl)-(2-phenyl-1,3-thiazolidin-4-yl)methanone (PubChem CID 69035805) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is (4-methoxyphenyl)-(2-phenyl-1,3-thiazolidin-4-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(2-phenyl-1,3-thiazolidin-4-yl)methanone
PubChem CID69035805
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name(4-methoxyphenyl)-(2-phenyl-1,3-thiazolidin-4-yl)methanone
SMILESCOc1ccc(C(=O)C2CSC(c3ccccc3)N2)cc1
InChIInChI=1S/C17H17NO2S/c1-20-14-9-7-12(8-10-14)16(19)15-11-21-17(18-15)13-5-3-2-4-6-13/h2-10,15,17-18H,11H2,1H3
InChIKeyDLYATOOTWLTFCH-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-methoxyphenyl)-(2-phenyl-1,3-thiazolidin-4-yl)methanone 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 (4-methoxyphenyl)-(2-phenyl-1,3-thiazolidin-4-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(2-phenyl-1,3-thiazolidin-4-yl)methanone (CID 69035805) is (4-methoxyphenyl)-(2-phenyl-1,3-thiazolidin-4-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(2-phenyl-1,3-thiazolidin-4-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(2-phenyl-1,3-thiazolidin-4-yl)methanone is COc1ccc(C(=O)C2CSC(c3ccccc3)N2)cc1.
What is the InChIKey of (4-methoxyphenyl)-(2-phenyl-1,3-thiazolidin-4-yl)methanone?
The InChIKey is DLYATOOTWLTFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-20-14-9-7-12(8-10-14)16(19)15-11-21-17(18-15)13-5-3-2-4-6-13/h2-10,15,17-18H,11H2,1H3.
What are the key properties of (4-methoxyphenyl)-(2-phenyl-1,3-thiazolidin-4-yl)methanone?
(4-methoxyphenyl)-(2-phenyl-1,3-thiazolidin-4-yl)methanone has a molecular weight of 299.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(2-phenyl-1,3-thiazolidin-4-yl)methanone is sourced from PubChem (CID 69035805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).