1-phenyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]urea

C17H12F3N3OS — CID 2726958

IUPAC1-phenyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]urea
SMILESO=C(Nc1ccccc1)Nc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H12F3N3OS/c18-17(19,20)12-8-6-11(7-9-12)15-22-14(10-25-15)23-16(24)21-13-4-2-1-3-5-13/h1-10H,(H2,21,23,24)
InChIKeySFQGUVODTBGCDI-UHFFFAOYSA-N
MW363.36 g/mol
LogP5.47
Rot. Bonds3

About 1-phenyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]urea

1-phenyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]urea (PubChem CID 2726958) has the molecular formula C17H12F3N3OS and a molecular weight of 363.36 g/mol. Its IUPAC name is 1-phenyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]urea.

Molecular Properties

Compound Name1-phenyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]urea
PubChem CID2726958
Molecular FormulaC17H12F3N3OS
Molecular Weight363.36 g/mol
Exact Mass363.07
IUPAC Name1-phenyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]urea
SMILESO=C(Nc1ccccc1)Nc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H12F3N3OS/c18-17(19,20)12-8-6-11(7-9-12)15-22-14(10-25-15)23-16(24)21-13-4-2-1-3-5-13/h1-10H,(H2,21,23,24)
InChIKeySFQGUVODTBGCDI-UHFFFAOYSA-N
XLogP5.47
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.36
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-phenyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-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-phenyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]urea?
The IUPAC name of 1-phenyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]urea (CID 2726958) is 1-phenyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]urea.
What is the SMILES notation for 1-phenyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]urea?
The canonical SMILES for 1-phenyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]urea is O=C(Nc1ccccc1)Nc1csc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 1-phenyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]urea?
The InChIKey is SFQGUVODTBGCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3OS/c18-17(19,20)12-8-6-11(7-9-12)15-22-14(10-25-15)23-16(24)21-13-4-2-1-3-5-13/h1-10H,(H2,21,23,24).
What are the key properties of 1-phenyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]urea?
1-phenyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]urea has a molecular weight of 363.36 g/mol, XLogP of 5.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]urea is sourced from PubChem (CID 2726958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).