(2-methylpyrimidin-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C10H6F3N3OS — CID 106782614

IUPAC(2-methylpyrimidin-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCc1nccc(C(=O)c2cnc(C(F)(F)F)s2)n1
InChIInChI=1S/C10H6F3N3OS/c1-5-14-3-2-6(16-5)8(17)7-4-15-9(18-7)10(11,12)13/h2-4H,1H3
InChIKeyWHHLJSHEHKTMDE-UHFFFAOYSA-N
MW273.24 g/mol
LogP2.49
Rot. Bonds2

About (2-methylpyrimidin-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

(2-methylpyrimidin-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106782614) has the molecular formula C10H6F3N3OS and a molecular weight of 273.24 g/mol. Its IUPAC name is (2-methylpyrimidin-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrimidin-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106782614
Molecular FormulaC10H6F3N3OS
Molecular Weight273.24 g/mol
Exact Mass273.02
IUPAC Name(2-methylpyrimidin-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCc1nccc(C(=O)c2cnc(C(F)(F)F)s2)n1
InChIInChI=1S/C10H6F3N3OS/c1-5-14-3-2-6(16-5)8(17)7-4-15-9(18-7)10(11,12)13/h2-4H,1H3
InChIKeyWHHLJSHEHKTMDE-UHFFFAOYSA-N
XLogP2.49
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrimidin-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (2-methylpyrimidin-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106782614) is (2-methylpyrimidin-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (2-methylpyrimidin-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (2-methylpyrimidin-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is Cc1nccc(C(=O)c2cnc(C(F)(F)F)s2)n1.
What is the InChIKey of (2-methylpyrimidin-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is WHHLJSHEHKTMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3OS/c1-5-14-3-2-6(16-5)8(17)7-4-15-9(18-7)10(11,12)13/h2-4H,1H3.
What are the key properties of (2-methylpyrimidin-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
(2-methylpyrimidin-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 273.24 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrimidin-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106782614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).