1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)urea

C17H18FN3O3S — CID 30374953

IUPAC1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)urea
SMILESCc1ccc(N2CCCS2(=O)=O)cc1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H18FN3O3S/c1-12-3-8-15(21-9-2-10-25(21,23)24)11-16(12)20-17(22)19-14-6-4-13(18)5-7-14/h3-8,11H,2,9-10H2,1H3,(H2,19,20,22)
InChIKeySJYSLHZLSOUXSF-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.32
Rot. Bonds3

About 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)urea

1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)urea (PubChem CID 30374953) has the molecular formula C17H18FN3O3S and a molecular weight of 363.41 g/mol. Its IUPAC name is 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)urea
PubChem CID30374953
Molecular FormulaC17H18FN3O3S
Molecular Weight363.41 g/mol
Exact Mass363.11
IUPAC Name1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)urea
SMILESCc1ccc(N2CCCS2(=O)=O)cc1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H18FN3O3S/c1-12-3-8-15(21-9-2-10-25(21,23)24)11-16(12)20-17(22)19-14-6-4-13(18)5-7-14/h3-8,11H,2,9-10H2,1H3,(H2,19,20,22)
InChIKeySJYSLHZLSOUXSF-UHFFFAOYSA-N
XLogP3.32
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)urea 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-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)urea (CID 30374953) is 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)urea is Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)urea?
The InChIKey is SJYSLHZLSOUXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3S/c1-12-3-8-15(21-9-2-10-25(21,23)24)11-16(12)20-17(22)19-14-6-4-13(18)5-7-14/h3-8,11H,2,9-10H2,1H3,(H2,19,20,22).
What are the key properties of 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)urea?
1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)urea has a molecular weight of 363.41 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 30374953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).