1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenyl-1-[3-(trifluoromethyl)phenyl]urea

C18H16F3N3OS — CID 2729144

IUPAC1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenyl-1-[3-(trifluoromethyl)phenyl]urea
SMILESCC1CN=C(N(C(=O)Nc2ccccc2)c2cccc(C(F)(F)F)c2)S1
InChIInChI=1S/C18H16F3N3OS/c1-12-11-22-17(26-12)24(16(25)23-14-7-3-2-4-8-14)15-9-5-6-13(10-15)18(19,20)21/h2-10,12H,11H2,1H3,(H,23,25)
InChIKeyUTNHAXRULKFHIF-UHFFFAOYSA-N
MW379.41 g/mol
LogP5.24
Rot. Bonds2

About 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenyl-1-[3-(trifluoromethyl)phenyl]urea

1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenyl-1-[3-(trifluoromethyl)phenyl]urea (PubChem CID 2729144) has the molecular formula C18H16F3N3OS and a molecular weight of 379.41 g/mol. Its IUPAC name is 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenyl-1-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenyl-1-[3-(trifluoromethyl)phenyl]urea
PubChem CID2729144
Molecular FormulaC18H16F3N3OS
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC Name1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenyl-1-[3-(trifluoromethyl)phenyl]urea
SMILESCC1CN=C(N(C(=O)Nc2ccccc2)c2cccc(C(F)(F)F)c2)S1
InChIInChI=1S/C18H16F3N3OS/c1-12-11-22-17(26-12)24(16(25)23-14-7-3-2-4-8-14)15-9-5-6-13(10-15)18(19,20)21/h2-10,12H,11H2,1H3,(H,23,25)
InChIKeyUTNHAXRULKFHIF-UHFFFAOYSA-N
XLogP5.24
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.41
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenyl-1-[3-(trifluoromethyl)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-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenyl-1-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenyl-1-[3-(trifluoromethyl)phenyl]urea (CID 2729144) is 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenyl-1-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenyl-1-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenyl-1-[3-(trifluoromethyl)phenyl]urea is CC1CN=C(N(C(=O)Nc2ccccc2)c2cccc(C(F)(F)F)c2)S1.
What is the InChIKey of 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenyl-1-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is UTNHAXRULKFHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3OS/c1-12-11-22-17(26-12)24(16(25)23-14-7-3-2-4-8-14)15-9-5-6-13(10-15)18(19,20)21/h2-10,12H,11H2,1H3,(H,23,25).
What are the key properties of 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenyl-1-[3-(trifluoromethyl)phenyl]urea?
1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenyl-1-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 379.41 g/mol, XLogP of 5.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenyl-1-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 2729144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).