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

C16H18N2O2S2 — CID 756750

IUPAC3-(4-ethoxyphenyl)-2-ethylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCCOc1ccc(-n2c(SCC)nc3c(c2=O)SCC3)cc1
InChIInChI=1S/C16H18N2O2S2/c1-3-20-12-7-5-11(6-8-12)18-15(19)14-13(9-10-22-14)17-16(18)21-4-2/h5-8H,3-4,9-10H2,1-2H3
InChIKeyYWLWSZHUNRVPPE-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.39
Rot. Bonds5

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

3-(4-ethoxyphenyl)-2-ethylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (PubChem CID 756750) has the molecular formula C16H18N2O2S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-2-ethylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-2-ethylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
PubChem CID756750
Molecular FormulaC16H18N2O2S2
Molecular Weight334.47 g/mol
Exact Mass334.08
IUPAC Name3-(4-ethoxyphenyl)-2-ethylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCCOc1ccc(-n2c(SCC)nc3c(c2=O)SCC3)cc1
InChIInChI=1S/C16H18N2O2S2/c1-3-20-12-7-5-11(6-8-12)18-15(19)14-13(9-10-22-14)17-16(18)21-4-2/h5-8H,3-4,9-10H2,1-2H3
InChIKeyYWLWSZHUNRVPPE-UHFFFAOYSA-N
XLogP3.39
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.39
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-ethylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(4-ethoxyphenyl)-2-ethylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (CID 756750) is 3-(4-ethoxyphenyl)-2-ethylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(4-ethoxyphenyl)-2-ethylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(4-ethoxyphenyl)-2-ethylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is CCOc1ccc(-n2c(SCC)nc3c(c2=O)SCC3)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-2-ethylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The InChIKey is YWLWSZHUNRVPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S2/c1-3-20-12-7-5-11(6-8-12)18-15(19)14-13(9-10-22-14)17-16(18)21-4-2/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 3-(4-ethoxyphenyl)-2-ethylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
3-(4-ethoxyphenyl)-2-ethylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one has a molecular weight of 334.47 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-2-ethylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 756750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).