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

C13H12N2O2S2 — CID 20873947

IUPAC7-(furan-2-ylmethylsulfanylmethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CSCc3ccco3)cc(=O)n12
InChIInChI=1S/C13H12N2O2S2/c1-9-6-19-13-14-10(5-12(16)15(9)13)7-18-8-11-3-2-4-17-11/h2-6H,7-8H2,1H3
InChIKeyMVIRRXJABJPTOE-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.09
Rot. Bonds4

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

7-(furan-2-ylmethylsulfanylmethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 20873947) has the molecular formula C13H12N2O2S2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 7-(furan-2-ylmethylsulfanylmethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(furan-2-ylmethylsulfanylmethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID20873947
Molecular FormulaC13H12N2O2S2
Molecular Weight292.38 g/mol
Exact Mass292.03
IUPAC Name7-(furan-2-ylmethylsulfanylmethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CSCc3ccco3)cc(=O)n12
InChIInChI=1S/C13H12N2O2S2/c1-9-6-19-13-14-10(5-12(16)15(9)13)7-18-8-11-3-2-4-17-11/h2-6H,7-8H2,1H3
InChIKeyMVIRRXJABJPTOE-UHFFFAOYSA-N
XLogP3.09
TPSA47.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
3-methyl-7-(quinolin-8-ylmethylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51291358
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-[[(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
7-[[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42919992
7-(furan-2-ylmethylsulfanylmethyl)-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 20874091
7-[2-(2-fluorophenoxy)ethylsulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17393734
7-[(4-tert-butylphenyl)sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42988467
7-[(2-cyclopentyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 49247868
2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-propylacetamide
CID 47103862

Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-ylmethylsulfanylmethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(furan-2-ylmethylsulfanylmethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 20873947) is 7-(furan-2-ylmethylsulfanylmethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(furan-2-ylmethylsulfanylmethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(furan-2-ylmethylsulfanylmethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(CSCc3ccco3)cc(=O)n12.
What is the InChIKey of 7-(furan-2-ylmethylsulfanylmethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is MVIRRXJABJPTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S2/c1-9-6-19-13-14-10(5-12(16)15(9)13)7-18-8-11-3-2-4-17-11/h2-6H,7-8H2,1H3.
What are the key properties of 7-(furan-2-ylmethylsulfanylmethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(furan-2-ylmethylsulfanylmethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 292.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-ylmethylsulfanylmethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 20873947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).