1-[2-(4-fluorophenyl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea

C17H15FN4OS — CID 60577664

IUPAC1-[2-(4-fluorophenyl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea
SMILESO=C(NCCc1ccc(F)cc1)Nc1ccc(-c2csnn2)cc1
InChIInChI=1S/C17H15FN4OS/c18-14-5-1-12(2-6-14)9-10-19-17(23)20-15-7-3-13(4-8-15)16-11-24-22-21-16/h1-8,11H,9-10H2,(H2,19,20,23)
InChIKeyZDGNGDPCIPTWMA-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.71
Rot. Bonds5

About 1-[2-(4-fluorophenyl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea

1-[2-(4-fluorophenyl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea (PubChem CID 60577664) has the molecular formula C17H15FN4OS and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea
PubChem CID60577664
Molecular FormulaC17H15FN4OS
Molecular Weight342.40 g/mol
Exact Mass342.10
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea
SMILESO=C(NCCc1ccc(F)cc1)Nc1ccc(-c2csnn2)cc1
InChIInChI=1S/C17H15FN4OS/c18-14-5-1-12(2-6-14)9-10-19-17(23)20-15-7-3-13(4-8-15)16-11-24-22-21-16/h1-8,11H,9-10H2,(H2,19,20,23)
InChIKeyZDGNGDPCIPTWMA-UHFFFAOYSA-N
XLogP3.71
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-fluorophenyl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]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-(4-fluorophenyl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea (CID 60577664) is 1-[2-(4-fluorophenyl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea is O=C(NCCc1ccc(F)cc1)Nc1ccc(-c2csnn2)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea?
The InChIKey is ZDGNGDPCIPTWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4OS/c18-14-5-1-12(2-6-14)9-10-19-17(23)20-15-7-3-13(4-8-15)16-11-24-22-21-16/h1-8,11H,9-10H2,(H2,19,20,23).
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea?
1-[2-(4-fluorophenyl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea has a molecular weight of 342.40 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea is sourced from PubChem (CID 60577664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).