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

C14H14F3N3OS — CID 75432219

IUPAC1-[2-(1,3-thiazol-4-yl)ethyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea
SMILESO=C(NCCc1cscn1)Nc1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C14H14F3N3OS/c15-14(16,17)7-10-1-3-11(4-2-10)20-13(21)18-6-5-12-8-22-9-19-12/h1-4,8-9H,5-7H2,(H2,18,20,21)
InChIKeyPTBRNEXIKOWJDS-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.61
Rot. Bonds5

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

1-[2-(1,3-thiazol-4-yl)ethyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea (PubChem CID 75432219) has the molecular formula C14H14F3N3OS and a molecular weight of 329.35 g/mol. Its IUPAC name is 1-[2-(1,3-thiazol-4-yl)ethyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(1,3-thiazol-4-yl)ethyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea
PubChem CID75432219
Molecular FormulaC14H14F3N3OS
Molecular Weight329.35 g/mol
Exact Mass329.08
IUPAC Name1-[2-(1,3-thiazol-4-yl)ethyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea
SMILESO=C(NCCc1cscn1)Nc1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C14H14F3N3OS/c15-14(16,17)7-10-1-3-11(4-2-10)20-13(21)18-6-5-12-8-22-9-19-12/h1-4,8-9H,5-7H2,(H2,18,20,21)
InChIKeyPTBRNEXIKOWJDS-UHFFFAOYSA-N
XLogP3.61
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-fluorophenyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 75432221
1-(3-chlorophenyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 110284890
4-(1,3-thiazol-4-ylmethylcarbamoylamino)benzoic acid
CID 63825574
1-phenyl-3-[2-(1,3-thiazol-4-yl)ethyl]thiourea
CID 115731922
1-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 124854604
1-[3-(1-hydroxyethyl)phenyl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 63824187
5-fluoro-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]benzoic acid
CID 63825763
3-(4-tert-butylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110624727
N-(4-fluorophenyl)-3-(1,3-thiazol-4-yl)propanamide
CID 110679486
1-cyclopentyl-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 84516169
4-fluoro-N,N-dimethyl-3-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]benzamide
CID 84589657
2-[[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]methyl]pyridine-4-carboxylic acid
CID 114325328

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-thiazol-4-yl)ethyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea?
The IUPAC name of 1-[2-(1,3-thiazol-4-yl)ethyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea (CID 75432219) is 1-[2-(1,3-thiazol-4-yl)ethyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea.
What is the SMILES notation for 1-[2-(1,3-thiazol-4-yl)ethyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea?
The canonical SMILES for 1-[2-(1,3-thiazol-4-yl)ethyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea is O=C(NCCc1cscn1)Nc1ccc(CC(F)(F)F)cc1.
What is the InChIKey of 1-[2-(1,3-thiazol-4-yl)ethyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea?
The InChIKey is PTBRNEXIKOWJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3OS/c15-14(16,17)7-10-1-3-11(4-2-10)20-13(21)18-6-5-12-8-22-9-19-12/h1-4,8-9H,5-7H2,(H2,18,20,21).
What are the key properties of 1-[2-(1,3-thiazol-4-yl)ethyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea?
1-[2-(1,3-thiazol-4-yl)ethyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea has a molecular weight of 329.35 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-thiazol-4-yl)ethyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea is sourced from PubChem (CID 75432219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).