1-[1-(4-fluorophenyl)cyclobutyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea

C19H17FN4OS — CID 71884898

IUPAC1-[1-(4-fluorophenyl)cyclobutyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
SMILESO=C(Nc1nc(-c2ccccc2)ns1)NC1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C19H17FN4OS/c20-15-9-7-14(8-10-15)19(11-4-12-19)23-17(25)22-18-21-16(24-26-18)13-5-2-1-3-6-13/h1-3,5-10H,4,11-12H2,(H2,21,22,23,24,25)
InChIKeyKLTNXHIQBJYKOG-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.55
Rot. Bonds4

About 1-[1-(4-fluorophenyl)cyclobutyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea

1-[1-(4-fluorophenyl)cyclobutyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea (PubChem CID 71884898) has the molecular formula C19H17FN4OS and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)cyclobutyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)cyclobutyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
PubChem CID71884898
Molecular FormulaC19H17FN4OS
Molecular Weight368.44 g/mol
Exact Mass368.11
IUPAC Name1-[1-(4-fluorophenyl)cyclobutyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
SMILESO=C(Nc1nc(-c2ccccc2)ns1)NC1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C19H17FN4OS/c20-15-9-7-14(8-10-15)19(11-4-12-19)23-17(25)22-18-21-16(24-26-18)13-5-2-1-3-6-13/h1-3,5-10H,4,11-12H2,(H2,21,22,23,24,25)
InChIKeyKLTNXHIQBJYKOG-UHFFFAOYSA-N
XLogP4.55
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(4-fluorophenyl)cyclobutyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)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-[1-(4-fluorophenyl)cyclobutyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
The IUPAC name of 1-[1-(4-fluorophenyl)cyclobutyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea (CID 71884898) is 1-[1-(4-fluorophenyl)cyclobutyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea.
What is the SMILES notation for 1-[1-(4-fluorophenyl)cyclobutyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
The canonical SMILES for 1-[1-(4-fluorophenyl)cyclobutyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea is O=C(Nc1nc(-c2ccccc2)ns1)NC1(c2ccc(F)cc2)CCC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)cyclobutyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
The InChIKey is KLTNXHIQBJYKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4OS/c20-15-9-7-14(8-10-15)19(11-4-12-19)23-17(25)22-18-21-16(24-26-18)13-5-2-1-3-6-13/h1-3,5-10H,4,11-12H2,(H2,21,22,23,24,25).
What are the key properties of 1-[1-(4-fluorophenyl)cyclobutyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
1-[1-(4-fluorophenyl)cyclobutyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea has a molecular weight of 368.44 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)cyclobutyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea is sourced from PubChem (CID 71884898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).