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

C16H14F3N5OS — CID 90572246

IUPAC1-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(NCCc1csc(-n2cccn2)n1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3N5OS/c17-16(18,19)11-3-1-4-12(9-11)22-14(25)20-7-5-13-10-26-15(23-13)24-8-2-6-21-24/h1-4,6,8-10H,5,7H2,(H2,20,22,25)
InChIKeyUPDFLBUPXUPACJ-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.71
Rot. Bonds5

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

1-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 90572246) has the molecular formula C16H14F3N5OS and a molecular weight of 381.38 g/mol. Its IUPAC name is 1-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID90572246
Molecular FormulaC16H14F3N5OS
Molecular Weight381.38 g/mol
Exact Mass381.09
IUPAC Name1-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(NCCc1csc(-n2cccn2)n1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3N5OS/c17-16(18,19)11-3-1-4-12(9-11)22-14(25)20-7-5-13-10-26-15(23-13)24-8-2-6-21-24/h1-4,6,8-10H,5,7H2,(H2,20,22,25)
InChIKeyUPDFLBUPXUPACJ-UHFFFAOYSA-N
XLogP3.71
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-3-[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

Related Compounds

1-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 90572245
1-(3,4-dichlorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea
CID 90572226
1-[2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 30868250
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688
1-benzhydryl-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea
CID 71802240
4-methyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
CID 71802228
N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide
CID 71802186
3-cyclopentyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 90572070
3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 110330068
4-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid
CID 28511821
1-[2-(3-fluorophenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108901125
1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2897923

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 90572246) is 1-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea is O=C(NCCc1csc(-n2cccn2)n1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is UPDFLBUPXUPACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5OS/c17-16(18,19)11-3-1-4-12(9-11)22-14(25)20-7-5-13-10-26-15(23-13)24-8-2-6-21-24/h1-4,6,8-10H,5,7H2,(H2,20,22,25).
What are the key properties of 1-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 381.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 90572246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).