1-cyclopropyl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea

C21H18F3N3O2S — CID 74627728

IUPAC1-cyclopropyl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N(Cc1cccc(-c2nccs2)c1)C1CC1
InChIInChI=1S/C21H18F3N3O2S/c22-21(23,24)29-18-8-4-16(5-9-18)26-20(28)27(17-6-7-17)13-14-2-1-3-15(12-14)19-25-10-11-30-19/h1-5,8-12,17H,6-7,13H2,(H,26,28)
InChIKeyVXBUABPTAFKXED-UHFFFAOYSA-N
MW433.46 g/mol
LogP5.91
Rot. Bonds6

About 1-cyclopropyl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea

1-cyclopropyl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 74627728) has the molecular formula C21H18F3N3O2S and a molecular weight of 433.46 g/mol. Its IUPAC name is 1-cyclopropyl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID74627728
Molecular FormulaC21H18F3N3O2S
Molecular Weight433.46 g/mol
Exact Mass433.11
IUPAC Name1-cyclopropyl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N(Cc1cccc(-c2nccs2)c1)C1CC1
InChIInChI=1S/C21H18F3N3O2S/c22-21(23,24)29-18-8-4-16(5-9-18)26-20(28)27(17-6-7-17)13-14-2-1-3-15(12-14)19-25-10-11-30-19/h1-5,8-12,17H,6-7,13H2,(H,26,28)
InChIKeyVXBUABPTAFKXED-UHFFFAOYSA-N
XLogP5.91
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.46
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-3-[4-(trifluoromethoxy)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

Related Compounds

1-Propan-2-yl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 90014603
1-[4-[4-(1,3-Thiazol-2-yl)phenoxy]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 46703912
1-[4-Fluoro-3-(trifluoromethyl)phenyl]-3-[4-[4-(1,3-thiazol-2-yl)phenoxy]phenyl]urea
CID 46703913
2-Imidazolidinone, 4,4-dimethyl-3-[[3-(2-thiazolyl)phenyl]methyl]-1-[4-(trifluoromethoxy)phenyl]-
CID 72206303
1-(1-Methylprop-2-yn-1-yl)-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 72204617
1-Phenyl-3-[4-[4-(1,3-thiazol-2-yl)phenoxy]phenyl]urea
CID 46703910
1-(4-Methylphenyl)-3-[4-[4-(1,3-thiazol-2-yl)phenoxy]phenyl]urea
CID 46703914
(2S)-N-(4-methoxyphenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 154636971
(2S)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 154636972
1-Propan-2-yl-1-[[4-(1,3-thiazol-2-yl)pyridin-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 90014418
1-[[3-(1,3-Thiazol-2-yl)phenyl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 90645512
(2S)-N-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 168292655

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-cyclopropyl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea (CID 74627728) is 1-cyclopropyl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-cyclopropyl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea is O=C(Nc1ccc(OC(F)(F)F)cc1)N(Cc1cccc(-c2nccs2)c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is VXBUABPTAFKXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O2S/c22-21(23,24)29-18-8-4-16(5-9-18)26-20(28)27(17-6-7-17)13-14-2-1-3-15(12-14)19-25-10-11-30-19/h1-5,8-12,17H,6-7,13H2,(H,26,28).
What are the key properties of 1-cyclopropyl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea?
1-cyclopropyl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 433.46 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 74627728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).