3-(4-ethoxyphenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

C15H16N2O2S2 — CID 756749

IUPAC3-(4-ethoxyphenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCCOc1ccc(-n2c(SC)nc3c(c2=O)SCC3)cc1
InChIInChI=1S/C15H16N2O2S2/c1-3-19-11-6-4-10(5-7-11)17-14(18)13-12(8-9-21-13)16-15(17)20-2/h4-7H,3,8-9H2,1-2H3
InChIKeyZSDOSLJMULJQEE-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.00
Rot. Bonds4

About 3-(4-ethoxyphenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

3-(4-ethoxyphenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (PubChem CID 756749) has the molecular formula C15H16N2O2S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
PubChem CID756749
Molecular FormulaC15H16N2O2S2
Molecular Weight320.44 g/mol
Exact Mass320.07
IUPAC Name3-(4-ethoxyphenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCCOc1ccc(-n2c(SC)nc3c(c2=O)SCC3)cc1
InChIInChI=1S/C15H16N2O2S2/c1-3-19-11-6-4-10(5-7-11)17-14(18)13-12(8-9-21-13)16-15(17)20-2/h4-7H,3,8-9H2,1-2H3
InChIKeyZSDOSLJMULJQEE-UHFFFAOYSA-N
XLogP3.00
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(4-ethoxyphenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (CID 756749) is 3-(4-ethoxyphenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(4-ethoxyphenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(4-ethoxyphenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is CCOc1ccc(-n2c(SC)nc3c(c2=O)SCC3)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The InChIKey is ZSDOSLJMULJQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S2/c1-3-19-11-6-4-10(5-7-11)17-14(18)13-12(8-9-21-13)16-15(17)20-2/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 3-(4-ethoxyphenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
3-(4-ethoxyphenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one has a molecular weight of 320.44 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 756749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).