1-(5-methyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea

C7H8F3N3OS — CID 116653775

IUPAC1-(5-methyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESCc1cnc(NC(=O)NCC(F)(F)F)s1
InChIInChI=1S/C7H8F3N3OS/c1-4-2-11-6(15-4)13-5(14)12-3-7(8,9)10/h2H,3H2,1H3,(H2,11,12,13,14)
InChIKeyCABKGOKJRMLPQW-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.14
Rot. Bonds2

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

1-(5-methyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 116653775) has the molecular formula C7H8F3N3OS and a molecular weight of 239.22 g/mol. Its IUPAC name is 1-(5-methyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(5-methyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID116653775
Molecular FormulaC7H8F3N3OS
Molecular Weight239.22 g/mol
Exact Mass239.03
IUPAC Name1-(5-methyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESCc1cnc(NC(=O)NCC(F)(F)F)s1
InChIInChI=1S/C7H8F3N3OS/c1-4-2-11-6(15-4)13-5(14)12-3-7(8,9)10/h2H,3H2,1H3,(H2,11,12,13,14)
InChIKeyCABKGOKJRMLPQW-UHFFFAOYSA-N
XLogP2.14
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(5-methyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea (CID 116653775) is 1-(5-methyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(5-methyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(5-methyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea is Cc1cnc(NC(=O)NCC(F)(F)F)s1.
What is the InChIKey of 1-(5-methyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is CABKGOKJRMLPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3OS/c1-4-2-11-6(15-4)13-5(14)12-3-7(8,9)10/h2H,3H2,1H3,(H2,11,12,13,14).
What are the key properties of 1-(5-methyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea?
1-(5-methyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 239.22 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 116653775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).