1-[(2,5-difluorophenyl)methyl]-3-(2-thiophen-2-ylethyl)urea

C14H14F2N2OS — CID 3522094

IUPAC1-[(2,5-difluorophenyl)methyl]-3-(2-thiophen-2-ylethyl)urea
SMILESO=C(NCCc1cccs1)NCc1cc(F)ccc1F
InChIInChI=1S/C14H14F2N2OS/c15-11-3-4-13(16)10(8-11)9-18-14(19)17-6-5-12-2-1-7-20-12/h1-4,7-8H,5-6,9H2,(H2,17,18,19)
InChIKeyWTFSMWVLGNPMAK-UHFFFAOYSA-N
MW296.34 g/mol
LogP3.07
Rot. Bonds5

About 1-[(2,5-difluorophenyl)methyl]-3-(2-thiophen-2-ylethyl)urea

1-[(2,5-difluorophenyl)methyl]-3-(2-thiophen-2-ylethyl)urea (PubChem CID 3522094) has the molecular formula C14H14F2N2OS and a molecular weight of 296.34 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-3-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-3-(2-thiophen-2-ylethyl)urea
PubChem CID3522094
Molecular FormulaC14H14F2N2OS
Molecular Weight296.34 g/mol
Exact Mass296.08
IUPAC Name1-[(2,5-difluorophenyl)methyl]-3-(2-thiophen-2-ylethyl)urea
SMILESO=C(NCCc1cccs1)NCc1cc(F)ccc1F
InChIInChI=1S/C14H14F2N2OS/c15-11-3-4-13(16)10(8-11)9-18-14(19)17-6-5-12-2-1-7-20-12/h1-4,7-8H,5-6,9H2,(H2,17,18,19)
InChIKeyWTFSMWVLGNPMAK-UHFFFAOYSA-N
XLogP3.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(2,5-difluorophenyl)methyl]-3-(2-thiophen-2-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-[(2,5-difluorophenyl)methyl]-3-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-3-(2-thiophen-2-ylethyl)urea (CID 3522094) is 1-[(2,5-difluorophenyl)methyl]-3-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-3-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-3-(2-thiophen-2-ylethyl)urea is O=C(NCCc1cccs1)NCc1cc(F)ccc1F.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-3-(2-thiophen-2-ylethyl)urea?
The InChIKey is WTFSMWVLGNPMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2OS/c15-11-3-4-13(16)10(8-11)9-18-14(19)17-6-5-12-2-1-7-20-12/h1-4,7-8H,5-6,9H2,(H2,17,18,19).
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-3-(2-thiophen-2-ylethyl)urea?
1-[(2,5-difluorophenyl)methyl]-3-(2-thiophen-2-ylethyl)urea has a molecular weight of 296.34 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl]-3-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 3522094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).