3-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-one

C10H8F3N3OS — CID 126857674

IUPAC3-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-one
SMILESCc1nc(Cn2cnc(C(F)(F)F)cc2=O)cs1
InChIInChI=1S/C10H8F3N3OS/c1-6-15-7(4-18-6)3-16-5-14-8(2-9(16)17)10(11,12)13/h2,4-5H,3H2,1H3
InChIKeyIEEHJPFNKKJPIX-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.08
Rot. Bonds2

About 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-one

3-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 126857674) has the molecular formula C10H8F3N3OS and a molecular weight of 275.26 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID126857674
Molecular FormulaC10H8F3N3OS
Molecular Weight275.26 g/mol
Exact Mass275.03
IUPAC Name3-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-one
SMILESCc1nc(Cn2cnc(C(F)(F)F)cc2=O)cs1
InChIInChI=1S/C10H8F3N3OS/c1-6-15-7(4-18-6)3-16-5-14-8(2-9(16)17)10(11,12)13/h2,4-5H,3H2,1H3
InChIKeyIEEHJPFNKKJPIX-UHFFFAOYSA-N
XLogP2.08
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-one (CID 126857674) is 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-one is Cc1nc(Cn2cnc(C(F)(F)F)cc2=O)cs1.
What is the InChIKey of 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is IEEHJPFNKKJPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3OS/c1-6-15-7(4-18-6)3-16-5-14-8(2-9(16)17)10(11,12)13/h2,4-5H,3H2,1H3.
What are the key properties of 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-one?
3-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 275.26 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 126857674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).