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

C9H4F3N3OS — CID 106782495

IUPACpyrimidin-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1ccncn1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H4F3N3OS/c10-9(11,12)8-14-3-6(17-8)7(16)5-1-2-13-4-15-5/h1-4H
InChIKeyLCDCBTODQALLTL-UHFFFAOYSA-N
MW259.21 g/mol
LogP2.18
Rot. Bonds2

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

pyrimidin-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106782495) has the molecular formula C9H4F3N3OS and a molecular weight of 259.21 g/mol. Its IUPAC name is pyrimidin-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Namepyrimidin-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106782495
Molecular FormulaC9H4F3N3OS
Molecular Weight259.21 g/mol
Exact Mass259.00
IUPAC Namepyrimidin-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1ccncn1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H4F3N3OS/c10-9(11,12)8-14-3-6(17-8)7(16)5-1-2-13-4-15-5/h1-4H
InChIKeyLCDCBTODQALLTL-UHFFFAOYSA-N
XLogP2.18
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyrimidin-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of pyrimidin-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106782495) is pyrimidin-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for pyrimidin-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for pyrimidin-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is O=C(c1ccncn1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of pyrimidin-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is LCDCBTODQALLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3N3OS/c10-9(11,12)8-14-3-6(17-8)7(16)5-1-2-13-4-15-5/h1-4H.
What are the key properties of pyrimidin-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
pyrimidin-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 259.21 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106782495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).