3-methyl-7-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C14H10F3N3OS2 — CID 46814847

IUPAC3-methyl-7-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CSc3ccc(C(F)(F)F)cn3)cc(=O)n12
InChIInChI=1S/C14H10F3N3OS2/c1-8-6-23-13-19-10(4-12(21)20(8)13)7-22-11-3-2-9(5-18-11)14(15,16)17/h2-6H,7H2,1H3
InChIKeyAMVKDVZOBXUINV-UHFFFAOYSA-N
MW357.38 g/mol
LogP3.77
Rot. Bonds3

About 3-methyl-7-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

3-methyl-7-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 46814847) has the molecular formula C14H10F3N3OS2 and a molecular weight of 357.38 g/mol. Its IUPAC name is 3-methyl-7-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-methyl-7-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID46814847
Molecular FormulaC14H10F3N3OS2
Molecular Weight357.38 g/mol
Exact Mass357.02
IUPAC Name3-methyl-7-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CSc3ccc(C(F)(F)F)cn3)cc(=O)n12
InChIInChI=1S/C14H10F3N3OS2/c1-8-6-23-13-19-10(4-12(21)20(8)13)7-22-11-3-2-9(5-18-11)14(15,16)17/h2-6H,7H2,1H3
InChIKeyAMVKDVZOBXUINV-UHFFFAOYSA-N
XLogP3.77
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-methyl-7-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 46814847) is 3-methyl-7-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-methyl-7-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-methyl-7-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(CSc3ccc(C(F)(F)F)cn3)cc(=O)n12.
What is the InChIKey of 3-methyl-7-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is AMVKDVZOBXUINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3OS2/c1-8-6-23-13-19-10(4-12(21)20(8)13)7-22-11-3-2-9(5-18-11)14(15,16)17/h2-6H,7H2,1H3.
What are the key properties of 3-methyl-7-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-methyl-7-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 357.38 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 46814847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).