6-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-2,3-dimethylthieno[2,3-d]pyrimidin-4-one

C17H16N2O3S2 — CID 45076668

IUPAC6-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-2,3-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCOc1cccc(C(=O)CSc2cc3c(=O)n(C)c(C)nc3s2)c1
InChIInChI=1S/C17H16N2O3S2/c1-10-18-16-13(17(21)19(10)2)8-15(24-16)23-9-14(20)11-5-4-6-12(7-11)22-3/h4-8H,9H2,1-3H3
InChIKeyKSRHWCLVDMMKIY-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.29
Rot. Bonds5

About 6-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-2,3-dimethylthieno[2,3-d]pyrimidin-4-one

6-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-2,3-dimethylthieno[2,3-d]pyrimidin-4-one (PubChem CID 45076668) has the molecular formula C17H16N2O3S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 6-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-2,3-dimethylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-2,3-dimethylthieno[2,3-d]pyrimidin-4-one
PubChem CID45076668
Molecular FormulaC17H16N2O3S2
Molecular Weight360.46 g/mol
Exact Mass360.06
IUPAC Name6-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-2,3-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCOc1cccc(C(=O)CSc2cc3c(=O)n(C)c(C)nc3s2)c1
InChIInChI=1S/C17H16N2O3S2/c1-10-18-16-13(17(21)19(10)2)8-15(24-16)23-9-14(20)11-5-4-6-12(7-11)22-3/h4-8H,9H2,1-3H3
InChIKeyKSRHWCLVDMMKIY-UHFFFAOYSA-N
XLogP3.29
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-2,3-dimethylthieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 45076654
2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-3-(2-methylphenyl)quinazolin-4-one
CID 41449301
2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one
CID 40578944
1-(3-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 103520257
3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 107786298
1-(3-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone
CID 51889923
5-bromo-3-[2-(3-methoxyphenyl)-2-oxoethyl]-2-methylpyrimidin-4-one
CID 66308396
2-(3-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanone
CID 55101851
2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(3-methoxyphenyl)ethanone
CID 1463283
1-(3-methoxyphenyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone
CID 1374007
2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 43425714
2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 43813695

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-2,3-dimethylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-2,3-dimethylthieno[2,3-d]pyrimidin-4-one (CID 45076668) is 6-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-2,3-dimethylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-2,3-dimethylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-2,3-dimethylthieno[2,3-d]pyrimidin-4-one is COc1cccc(C(=O)CSc2cc3c(=O)n(C)c(C)nc3s2)c1.
What is the InChIKey of 6-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-2,3-dimethylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is KSRHWCLVDMMKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S2/c1-10-18-16-13(17(21)19(10)2)8-15(24-16)23-9-14(20)11-5-4-6-12(7-11)22-3/h4-8H,9H2,1-3H3.
What are the key properties of 6-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-2,3-dimethylthieno[2,3-d]pyrimidin-4-one?
6-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-2,3-dimethylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 360.46 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-2,3-dimethylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 45076668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).