7-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C12H7F3N4OS2 — CID 18158516

IUPAC7-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CSc2nccc(C(F)(F)F)n2)nc2sccn12
InChIInChI=1S/C12H7F3N4OS2/c13-12(14,15)8-1-2-16-10(18-8)22-6-7-5-9(20)19-3-4-21-11(19)17-7/h1-5H,6H2
InChIKeyGKGYQWVDRAGCPE-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.86
Rot. Bonds3

About 7-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 18158516) has the molecular formula C12H7F3N4OS2 and a molecular weight of 344.34 g/mol. Its IUPAC name is 7-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID18158516
Molecular FormulaC12H7F3N4OS2
Molecular Weight344.34 g/mol
Exact Mass344.00
IUPAC Name7-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CSc2nccc(C(F)(F)F)n2)nc2sccn12
InChIInChI=1S/C12H7F3N4OS2/c13-12(14,15)8-1-2-16-10(18-8)22-6-7-5-9(20)19-3-4-21-11(19)17-7/h1-5H,6H2
InChIKeyGKGYQWVDRAGCPE-UHFFFAOYSA-N
XLogP2.86
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 18158516) is 7-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CSc2nccc(C(F)(F)F)n2)nc2sccn12.
What is the InChIKey of 7-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is GKGYQWVDRAGCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4OS2/c13-12(14,15)8-1-2-16-10(18-8)22-6-7-5-9(20)19-3-4-21-11(19)17-7/h1-5H,6H2.
What are the key properties of 7-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 344.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 18158516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).