1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea

C10H12F3N3OS — CID 122133121

IUPAC1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1nc(C2CCC2)cs1
InChIInChI=1S/C10H12F3N3OS/c11-10(12,13)5-14-8(17)16-9-15-7(4-18-9)6-2-1-3-6/h4,6H,1-3,5H2,(H2,14,15,16,17)
InChIKeyLQJWIFYUVXFOKG-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.09
Rot. Bonds3

About 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea

1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 122133121) has the molecular formula C10H12F3N3OS and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID122133121
Molecular FormulaC10H12F3N3OS
Molecular Weight279.29 g/mol
Exact Mass279.07
IUPAC Name1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1nc(C2CCC2)cs1
InChIInChI=1S/C10H12F3N3OS/c11-10(12,13)5-14-8(17)16-9-15-7(4-18-9)6-2-1-3-6/h4,6H,1-3,5H2,(H2,14,15,16,17)
InChIKeyLQJWIFYUVXFOKG-UHFFFAOYSA-N
XLogP3.09
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea (CID 122133121) is 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)Nc1nc(C2CCC2)cs1.
What is the InChIKey of 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is LQJWIFYUVXFOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3OS/c11-10(12,13)5-14-8(17)16-9-15-7(4-18-9)6-2-1-3-6/h4,6H,1-3,5H2,(H2,14,15,16,17).
What are the key properties of 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea?
1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 279.29 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 122133121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).