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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Related Compounds

7-(furan-2-ylmethylsulfanylmethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 20873947
2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-naphthalen-1-ylacetamide
CID 46346316
3-methyl-7-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 55510653
3-methyl-7-[2-(2-methylphenoxy)ethylsulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51168881
7-[[(2S)-2-hydroxy-2-phenylethyl]sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 94805990
2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 51168973
2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-propylacetamide
CID 47103862
7-[(5-bromo-2-pyridinyl)sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42951128
7-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42885852
7-(1-aminopropan-2-ylsulfanylmethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66219107
3-methyl-7-[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51168976
7-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46814969

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).