2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-phenylthieno[2,3-d]pyrimidin-4-one

C17H13N3O2S2 — CID 8945326

IUPAC2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCc1cc(CSc2nc3sccc3c(=O)n2-c2ccccc2)no1
InChIInChI=1S/C17H13N3O2S2/c1-11-9-12(19-22-11)10-24-17-18-15-14(7-8-23-15)16(21)20(17)13-5-3-2-4-6-13/h2-9H,10H2,1H3
InChIKeyWWRYZXPXWINKBD-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.04
Rot. Bonds4

About 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-phenylthieno[2,3-d]pyrimidin-4-one

2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-phenylthieno[2,3-d]pyrimidin-4-one (PubChem CID 8945326) has the molecular formula C17H13N3O2S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-phenylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-phenylthieno[2,3-d]pyrimidin-4-one
PubChem CID8945326
Molecular FormulaC17H13N3O2S2
Molecular Weight355.44 g/mol
Exact Mass355.04
IUPAC Name2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCc1cc(CSc2nc3sccc3c(=O)n2-c2ccccc2)no1
InChIInChI=1S/C17H13N3O2S2/c1-11-9-12(19-22-11)10-24-17-18-15-14(7-8-23-15)16(21)20(17)13-5-3-2-4-6-13/h2-9H,10H2,1H3
InChIKeyWWRYZXPXWINKBD-UHFFFAOYSA-N
XLogP4.04
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-phenylthieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

3-[4-[(2R)-butan-2-yl]phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one
CID 7629175
2-[(2-chlorophenyl)methylsulfanyl]-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 8902196
2-methylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 8001799
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-(4-methylphenyl)quinazolin-4-one
CID 9491409
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-[(1S)-1-phenylethyl]quinazolin-4-one
CID 8951967
2-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 8898376
2-[(4-methyl-2-pyridinyl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 14575169
2-[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 31569976
2-[(3,5-dimethylphenyl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 18225738
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 55441846
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
CID 17399309
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one
CID 26919048

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-phenylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-phenylthieno[2,3-d]pyrimidin-4-one (CID 8945326) is 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-phenylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-phenylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-phenylthieno[2,3-d]pyrimidin-4-one is Cc1cc(CSc2nc3sccc3c(=O)n2-c2ccccc2)no1.
What is the InChIKey of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-phenylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is WWRYZXPXWINKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S2/c1-11-9-12(19-22-11)10-24-17-18-15-14(7-8-23-15)16(21)20(17)13-5-3-2-4-6-13/h2-9H,10H2,1H3.
What are the key properties of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-phenylthieno[2,3-d]pyrimidin-4-one?
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-phenylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 355.44 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-phenylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 8945326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).