1-(1,3-thiazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea

C7H8F3N3OS — CID 104577633

IUPAC1-(1,3-thiazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCc1cncs1)NCC(F)(F)F
InChIInChI=1S/C7H8F3N3OS/c8-7(9,10)3-13-6(14)12-2-5-1-11-4-15-5/h1,4H,2-3H2,(H2,12,13,14)
InChIKeyZPVTVKYZEVATSN-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.50
Rot. Bonds3

About 1-(1,3-thiazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea

1-(1,3-thiazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 104577633) has the molecular formula C7H8F3N3OS and a molecular weight of 239.22 g/mol. Its IUPAC name is 1-(1,3-thiazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(1,3-thiazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID104577633
Molecular FormulaC7H8F3N3OS
Molecular Weight239.22 g/mol
Exact Mass239.03
IUPAC Name1-(1,3-thiazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCc1cncs1)NCC(F)(F)F
InChIInChI=1S/C7H8F3N3OS/c8-7(9,10)3-13-6(14)12-2-5-1-11-4-15-5/h1,4H,2-3H2,(H2,12,13,14)
InChIKeyZPVTVKYZEVATSN-UHFFFAOYSA-N
XLogP1.50
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(1,3-thiazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea (CID 104577633) is 1-(1,3-thiazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(1,3-thiazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(1,3-thiazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea is O=C(NCc1cncs1)NCC(F)(F)F.
What is the InChIKey of 1-(1,3-thiazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is ZPVTVKYZEVATSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3OS/c8-7(9,10)3-13-6(14)12-2-5-1-11-4-15-5/h1,4H,2-3H2,(H2,12,13,14).
What are the key properties of 1-(1,3-thiazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea?
1-(1,3-thiazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 239.22 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 104577633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).