3-methyl-7-(quinolin-8-ylmethylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C18H15N3OS2 — CID 51291358

IUPAC3-methyl-7-(quinolin-8-ylmethylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CSCc3cccc4cccnc34)cc(=O)n12
InChIInChI=1S/C18H15N3OS2/c1-12-9-24-18-20-15(8-16(22)21(12)18)11-23-10-14-5-2-4-13-6-3-7-19-17(13)14/h2-9H,10-11H2,1H3
InChIKeyCXXBXESLVSFEOK-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.05
Rot. Bonds4

About 3-methyl-7-(quinolin-8-ylmethylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

3-methyl-7-(quinolin-8-ylmethylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 51291358) has the molecular formula C18H15N3OS2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-methyl-7-(quinolin-8-ylmethylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-methyl-7-(quinolin-8-ylmethylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID51291358
Molecular FormulaC18H15N3OS2
Molecular Weight353.47 g/mol
Exact Mass353.07
IUPAC Name3-methyl-7-(quinolin-8-ylmethylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CSCc3cccc4cccnc34)cc(=O)n12
InChIInChI=1S/C18H15N3OS2/c1-12-9-24-18-20-15(8-16(22)21(12)18)11-23-10-14-5-2-4-13-6-3-7-19-17(13)14/h2-9H,10-11H2,1H3
InChIKeyCXXBXESLVSFEOK-UHFFFAOYSA-N
XLogP4.05
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(quinolin-8-ylmethylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-methyl-7-(quinolin-8-ylmethylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 51291358) is 3-methyl-7-(quinolin-8-ylmethylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-methyl-7-(quinolin-8-ylmethylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-methyl-7-(quinolin-8-ylmethylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(CSCc3cccc4cccnc34)cc(=O)n12.
What is the InChIKey of 3-methyl-7-(quinolin-8-ylmethylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is CXXBXESLVSFEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS2/c1-12-9-24-18-20-15(8-16(22)21(12)18)11-23-10-14-5-2-4-13-6-3-7-19-17(13)14/h2-9H,10-11H2,1H3.
What are the key properties of 3-methyl-7-(quinolin-8-ylmethylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-methyl-7-(quinolin-8-ylmethylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 353.47 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(quinolin-8-ylmethylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 51291358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).