1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea

C8H10F3N3OS — CID 116654707

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESCc1nc(NC(=O)NCC(F)(F)F)sc1C
InChIInChI=1S/C8H10F3N3OS/c1-4-5(2)16-7(13-4)14-6(15)12-3-8(9,10)11/h3H2,1-2H3,(H2,12,13,14,15)
InChIKeySKUBGWAZFLCVDY-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.44
Rot. Bonds2

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea

1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 116654707) has the molecular formula C8H10F3N3OS and a molecular weight of 253.25 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID116654707
Molecular FormulaC8H10F3N3OS
Molecular Weight253.25 g/mol
Exact Mass253.05
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESCc1nc(NC(=O)NCC(F)(F)F)sc1C
InChIInChI=1S/C8H10F3N3OS/c1-4-5(2)16-7(13-4)14-6(15)12-3-8(9,10)11/h3H2,1-2H3,(H2,12,13,14,15)
InChIKeySKUBGWAZFLCVDY-UHFFFAOYSA-N
XLogP2.44
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea (CID 116654707) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea is Cc1nc(NC(=O)NCC(F)(F)F)sc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is SKUBGWAZFLCVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS/c1-4-5(2)16-7(13-4)14-6(15)12-3-8(9,10)11/h3H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 253.25 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 116654707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).