1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea

C13H19FN2O2S — CID 71787250

IUPAC1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
SMILESCSCC(C)(O)CNC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O2S/c1-13(18,9-19-2)8-16-12(17)15-7-10-3-5-11(14)6-4-10/h3-6,18H,7-9H2,1-2H3,(H2,15,16,17)
InChIKeyHHKZYCVFGUGEBA-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.74
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea

1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea (PubChem CID 71787250) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
PubChem CID71787250
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
SMILESCSCC(C)(O)CNC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O2S/c1-13(18,9-19-2)8-16-12(17)15-7-10-3-5-11(14)6-4-10/h3-6,18H,7-9H2,1-2H3,(H2,15,16,17)
InChIKeyHHKZYCVFGUGEBA-UHFFFAOYSA-N
XLogP1.74
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)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-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea (CID 71787250) is 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea is CSCC(C)(O)CNC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea?
The InChIKey is HHKZYCVFGUGEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-13(18,9-19-2)8-16-12(17)15-7-10-3-5-11(14)6-4-10/h3-6,18H,7-9H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea?
1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea has a molecular weight of 286.37 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea is sourced from PubChem (CID 71787250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).