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

C12H12N4OS2 — CID 17122078

IUPAC7-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1ccnc(SCc2cc(=O)n3c(n2)SCC3)n1
InChIInChI=1S/C12H12N4OS2/c1-8-2-3-13-11(14-8)19-7-9-6-10(17)16-4-5-18-12(16)15-9/h2-3,6H,4-5,7H2,1H3
InChIKeyMNJGBENZZSAEOF-UHFFFAOYSA-N
MW292.39 g/mol
LogP1.74
Rot. Bonds3

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

7-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 17122078) has the molecular formula C12H12N4OS2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 7-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID17122078
Molecular FormulaC12H12N4OS2
Molecular Weight292.39 g/mol
Exact Mass292.05
IUPAC Name7-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1ccnc(SCc2cc(=O)n3c(n2)SCC3)n1
InChIInChI=1S/C12H12N4OS2/c1-8-2-3-13-11(14-8)19-7-9-6-10(17)16-4-5-18-12(16)15-9/h2-3,6H,4-5,7H2,1H3
InChIKeyMNJGBENZZSAEOF-UHFFFAOYSA-N
XLogP1.74
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 17122078) is 7-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1ccnc(SCc2cc(=O)n3c(n2)SCC3)n1.
What is the InChIKey of 7-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is MNJGBENZZSAEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS2/c1-8-2-3-13-11(14-8)19-7-9-6-10(17)16-4-5-18-12(16)15-9/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 7-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 292.39 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 17122078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).