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

C14H15FN2O2S — CID 52992665

IUPAC1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
SMILESO=C(NCc1ccc(F)cc1)NCC(O)c1ccsc1
InChIInChI=1S/C14H15FN2O2S/c15-12-3-1-10(2-4-12)7-16-14(19)17-8-13(18)11-5-6-20-9-11/h1-6,9,13,18H,7-8H2,(H2,16,17,19)
InChIKeyIXUMGRQCOFAXHS-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.42
Rot. Bonds5

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

1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea (PubChem CID 52992665) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
PubChem CID52992665
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
SMILESO=C(NCc1ccc(F)cc1)NCC(O)c1ccsc1
InChIInChI=1S/C14H15FN2O2S/c15-12-3-1-10(2-4-12)7-16-14(19)17-8-13(18)11-5-6-20-9-11/h1-6,9,13,18H,7-8H2,(H2,16,17,19)
InChIKeyIXUMGRQCOFAXHS-UHFFFAOYSA-N
XLogP2.42
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)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-thiophen-3-ylethyl)urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea (CID 52992665) is 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea is O=C(NCc1ccc(F)cc1)NCC(O)c1ccsc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
The InChIKey is IXUMGRQCOFAXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c15-12-3-1-10(2-4-12)7-16-14(19)17-8-13(18)11-5-6-20-9-11/h1-6,9,13,18H,7-8H2,(H2,16,17,19).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea has a molecular weight of 294.35 g/mol, XLogP of 2.42, 5 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-thiophen-3-ylethyl)urea is sourced from PubChem (CID 52992665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).