3-[2-(1-ethylimidazol-2-yl)sulfanylethyl]thieno[3,2-d]pyrimidin-4-one

C13H14N4OS2 — CID 71995666

IUPAC3-[2-(1-ethylimidazol-2-yl)sulfanylethyl]thieno[3,2-d]pyrimidin-4-one
SMILESCCn1ccnc1SCCn1cnc2ccsc2c1=O
InChIInChI=1S/C13H14N4OS2/c1-2-16-5-4-14-13(16)20-8-6-17-9-15-10-3-7-19-11(10)12(17)18/h3-5,7,9H,2,6,8H2,1H3
InChIKeyJXFFWCBNLHADSV-UHFFFAOYSA-N
MW306.42 g/mol
LogP2.47
Rot. Bonds5

About 3-[2-(1-ethylimidazol-2-yl)sulfanylethyl]thieno[3,2-d]pyrimidin-4-one

3-[2-(1-ethylimidazol-2-yl)sulfanylethyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 71995666) has the molecular formula C13H14N4OS2 and a molecular weight of 306.42 g/mol. Its IUPAC name is 3-[2-(1-ethylimidazol-2-yl)sulfanylethyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(1-ethylimidazol-2-yl)sulfanylethyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID71995666
Molecular FormulaC13H14N4OS2
Molecular Weight306.42 g/mol
Exact Mass306.06
IUPAC Name3-[2-(1-ethylimidazol-2-yl)sulfanylethyl]thieno[3,2-d]pyrimidin-4-one
SMILESCCn1ccnc1SCCn1cnc2ccsc2c1=O
InChIInChI=1S/C13H14N4OS2/c1-2-16-5-4-14-13(16)20-8-6-17-9-15-10-3-7-19-11(10)12(17)18/h3-5,7,9H,2,6,8H2,1H3
InChIKeyJXFFWCBNLHADSV-UHFFFAOYSA-N
XLogP2.47
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(1H-imidazol-1-yl)butyl]-2-thiophenecarboxamide
CID 13371093
N-[3-(1H-imidazol-1-yl)propyl]-2-thiophenecarboxamide
CID 2842773
3-(3-Imidazol-1-ylpropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 19245057
3-[1-(1H-imidazol-1-ylmethyl)propyl]-7-methylthieno[3,2-d]pyrimidin-4(3H)-one formate
CID 45933083
[3-(2-Methylimidazol-1-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
CID 53620088
3-(acetylamino)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide
CID 56742919
3-[2-(2-Propylimidazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 75433230
3-[2-(2-Propan-2-ylimidazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 84599541
2-(Imidazol-1-ylmethyl)-9-(thiophen-2-ylmethyl)-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-4-one
CID 97382248
(4-(((1-methyl-1H-imidazol-2-yl)thio)methyl)piperidin-1-yl)(thiophen-2-yl)methanone
CID 71800856
[4-(1-Methyl-2-imidazolyl)-1-piperazinyl](2-thienyl)methanone
CID 25284838
(4-(2-(1H-imidazol-1-yl)ethyl)piperazin-1-yl)(thiophen-2-yl)methanone
CID 71788590

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-ethylimidazol-2-yl)sulfanylethyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[2-(1-ethylimidazol-2-yl)sulfanylethyl]thieno[3,2-d]pyrimidin-4-one (CID 71995666) is 3-[2-(1-ethylimidazol-2-yl)sulfanylethyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(1-ethylimidazol-2-yl)sulfanylethyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-(1-ethylimidazol-2-yl)sulfanylethyl]thieno[3,2-d]pyrimidin-4-one is CCn1ccnc1SCCn1cnc2ccsc2c1=O.
What is the InChIKey of 3-[2-(1-ethylimidazol-2-yl)sulfanylethyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is JXFFWCBNLHADSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS2/c1-2-16-5-4-14-13(16)20-8-6-17-9-15-10-3-7-19-11(10)12(17)18/h3-5,7,9H,2,6,8H2,1H3.
What are the key properties of 3-[2-(1-ethylimidazol-2-yl)sulfanylethyl]thieno[3,2-d]pyrimidin-4-one?
3-[2-(1-ethylimidazol-2-yl)sulfanylethyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 306.42 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-ethylimidazol-2-yl)sulfanylethyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 71995666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).