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

C12H10N2O2S2 — CID 20873933

IUPAC7-(furan-2-ylmethylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CSCc2ccco2)nc2sccn12
InChIInChI=1S/C12H10N2O2S2/c15-11-6-9(13-12-14(11)3-5-18-12)7-17-8-10-2-1-4-16-10/h1-6H,7-8H2
InChIKeyGAPGHDLMIXHUCV-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.78
Rot. Bonds4

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

7-(furan-2-ylmethylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 20873933) has the molecular formula C12H10N2O2S2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 7-(furan-2-ylmethylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(furan-2-ylmethylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID20873933
Molecular FormulaC12H10N2O2S2
Molecular Weight278.36 g/mol
Exact Mass278.02
IUPAC Name7-(furan-2-ylmethylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CSCc2ccco2)nc2sccn12
InChIInChI=1S/C12H10N2O2S2/c15-11-6-9(13-12-14(11)3-5-18-12)7-17-8-10-2-1-4-16-10/h1-6H,7-8H2
InChIKeyGAPGHDLMIXHUCV-UHFFFAOYSA-N
XLogP2.78
TPSA47.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-furylmethylene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
CID 773189
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-furyl)acrylamide
CID 801586
5-(Furan-2-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one
CID 229999
N-(2-(furan-2-ylmethylthio)ethyl)-2-(4-hydroxy-6-propylpyrimidin-2-ylthio)acetamide
CID 135435989
(Z)-2-(furan-2-ylmethylene)-6,7-dihydro-2H-thiazolo[3,2-a]pyrimidin-3(5H)-one
CID 773191
5-(Furan-2-ylmethylene)-2-morpholinothiazol-4(5H)-one
CID 704637
5-(2-furylmethylene)-2-(1-piperidinyl)-1,3-thiazol-4(5H)-one
CID 2055469
5-(Furan-2-ylmethylsulfanylmethyl)-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-7-one
CID 20873930
7-(Furan-2-ylmethylsulfanylmethyl)-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 20874000
(5Z)-5-(furan-2-ylmethylidene)-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one
CID 5470560
(5Z)-2-[(E)-but-2-enyl]sulfanyl-5-(furan-2-ylmethylidene)-3-prop-2-enylimidazol-4-one
CID 5470566
(4Z)-2-ethylsulfanyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 135505157

Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-ylmethylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(furan-2-ylmethylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 20873933) is 7-(furan-2-ylmethylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(furan-2-ylmethylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(furan-2-ylmethylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CSCc2ccco2)nc2sccn12.
What is the InChIKey of 7-(furan-2-ylmethylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is GAPGHDLMIXHUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S2/c15-11-6-9(13-12-14(11)3-5-18-12)7-17-8-10-2-1-4-16-10/h1-6H,7-8H2.
What are the key properties of 7-(furan-2-ylmethylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(furan-2-ylmethylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 278.36 g/mol, XLogP of 2.78, 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)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 20873933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).