4-methyl-2-(5H-[1,3]thiazolo[3,2-a]pyrimidin-7-ylmethylsulfanyl)-1H-pyrimidin-6-one

C12H12N4OS2 — CID 139472174

IUPAC4-methyl-2-(5H-[1,3]thiazolo[3,2-a]pyrimidin-7-ylmethylsulfanyl)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(SCC2=CCN3C=CSC3=N2)n1
InChIInChI=1S/C12H12N4OS2/c1-8-6-10(17)15-11(13-8)19-7-9-2-3-16-4-5-18-12(16)14-9/h2,4-6H,3,7H2,1H3,(H,13,15,17)
InChIKeyKARMUYWIAJUPIM-UHFFFAOYSA-N
MW292.39 g/mol
LogP1.94
Rot. Bonds3

About 4-methyl-2-(5H-[1,3]thiazolo[3,2-a]pyrimidin-7-ylmethylsulfanyl)-1H-pyrimidin-6-one

4-methyl-2-(5H-[1,3]thiazolo[3,2-a]pyrimidin-7-ylmethylsulfanyl)-1H-pyrimidin-6-one (PubChem CID 139472174) has the molecular formula C12H12N4OS2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 4-methyl-2-(5H-[1,3]thiazolo[3,2-a]pyrimidin-7-ylmethylsulfanyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-(5H-[1,3]thiazolo[3,2-a]pyrimidin-7-ylmethylsulfanyl)-1H-pyrimidin-6-one
PubChem CID139472174
Molecular FormulaC12H12N4OS2
Molecular Weight292.39 g/mol
Exact Mass292.05
IUPAC Name4-methyl-2-(5H-[1,3]thiazolo[3,2-a]pyrimidin-7-ylmethylsulfanyl)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(SCC2=CCN3C=CSC3=N2)n1
InChIInChI=1S/C12H12N4OS2/c1-8-6-10(17)15-11(13-8)19-7-9-2-3-16-4-5-18-12(16)14-9/h2,4-6H,3,7H2,1H3,(H,13,15,17)
InChIKeyKARMUYWIAJUPIM-UHFFFAOYSA-N
XLogP1.94
TPSA61.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(5H-[1,3]thiazolo[3,2-a]pyrimidin-7-ylmethylsulfanyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-(5H-[1,3]thiazolo[3,2-a]pyrimidin-7-ylmethylsulfanyl)-1H-pyrimidin-6-one (CID 139472174) is 4-methyl-2-(5H-[1,3]thiazolo[3,2-a]pyrimidin-7-ylmethylsulfanyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-(5H-[1,3]thiazolo[3,2-a]pyrimidin-7-ylmethylsulfanyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-(5H-[1,3]thiazolo[3,2-a]pyrimidin-7-ylmethylsulfanyl)-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(SCC2=CCN3C=CSC3=N2)n1.
What is the InChIKey of 4-methyl-2-(5H-[1,3]thiazolo[3,2-a]pyrimidin-7-ylmethylsulfanyl)-1H-pyrimidin-6-one?
The InChIKey is KARMUYWIAJUPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS2/c1-8-6-10(17)15-11(13-8)19-7-9-2-3-16-4-5-18-12(16)14-9/h2,4-6H,3,7H2,1H3,(H,13,15,17).
What are the key properties of 4-methyl-2-(5H-[1,3]thiazolo[3,2-a]pyrimidin-7-ylmethylsulfanyl)-1H-pyrimidin-6-one?
4-methyl-2-(5H-[1,3]thiazolo[3,2-a]pyrimidin-7-ylmethylsulfanyl)-1H-pyrimidin-6-one has a molecular weight of 292.39 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(5H-[1,3]thiazolo[3,2-a]pyrimidin-7-ylmethylsulfanyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 139472174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).