6-methyl-5-phenyl-2,3-dihydrothieno[3,2-c]pyridin-4-one

C14H13NOS — CID 56964892

IUPAC6-methyl-5-phenyl-2,3-dihydrothieno[3,2-c]pyridin-4-one
SMILESCc1cc2c(c(=O)n1-c1ccccc1)CCS2
InChIInChI=1S/C14H13NOS/c1-10-9-13-12(7-8-17-13)14(16)15(10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
InChIKeyFLVPEYXYRJEIHI-UHFFFAOYSA-N
MW243.33 g/mol
LogP2.79
Rot. Bonds1

About 6-methyl-5-phenyl-2,3-dihydrothieno[3,2-c]pyridin-4-one

6-methyl-5-phenyl-2,3-dihydrothieno[3,2-c]pyridin-4-one (PubChem CID 56964892) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is 6-methyl-5-phenyl-2,3-dihydrothieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name6-methyl-5-phenyl-2,3-dihydrothieno[3,2-c]pyridin-4-one
PubChem CID56964892
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name6-methyl-5-phenyl-2,3-dihydrothieno[3,2-c]pyridin-4-one
SMILESCc1cc2c(c(=O)n1-c1ccccc1)CCS2
InChIInChI=1S/C14H13NOS/c1-10-9-13-12(7-8-17-13)14(16)15(10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
InChIKeyFLVPEYXYRJEIHI-UHFFFAOYSA-N
XLogP2.79
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-phenyl-2,3-dihydrothieno[3,2-c]pyridin-4-one?
The IUPAC name of 6-methyl-5-phenyl-2,3-dihydrothieno[3,2-c]pyridin-4-one (CID 56964892) is 6-methyl-5-phenyl-2,3-dihydrothieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 6-methyl-5-phenyl-2,3-dihydrothieno[3,2-c]pyridin-4-one?
The canonical SMILES for 6-methyl-5-phenyl-2,3-dihydrothieno[3,2-c]pyridin-4-one is Cc1cc2c(c(=O)n1-c1ccccc1)CCS2.
What is the InChIKey of 6-methyl-5-phenyl-2,3-dihydrothieno[3,2-c]pyridin-4-one?
The InChIKey is FLVPEYXYRJEIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c1-10-9-13-12(7-8-17-13)14(16)15(10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3.
What are the key properties of 6-methyl-5-phenyl-2,3-dihydrothieno[3,2-c]pyridin-4-one?
6-methyl-5-phenyl-2,3-dihydrothieno[3,2-c]pyridin-4-one has a molecular weight of 243.33 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-phenyl-2,3-dihydrothieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 56964892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).