1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-diphenylpropan-1-one

C22H21NOS — CID 42470191

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-diphenylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1CCc2sccc2C1
InChIInChI=1S/C22H21NOS/c24-22(23-13-11-21-19(16-23)12-14-25-21)15-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,12,14,20H,11,13,15-16H2
InChIKeyMMAMBAIIQKIMED-UHFFFAOYSA-N
MW347.48 g/mol
LogP4.86
Rot. Bonds4

About 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-diphenylpropan-1-one

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-diphenylpropan-1-one (PubChem CID 42470191) has the molecular formula C22H21NOS and a molecular weight of 347.48 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-diphenylpropan-1-one.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-diphenylpropan-1-one
PubChem CID42470191
Molecular FormulaC22H21NOS
Molecular Weight347.48 g/mol
Exact Mass347.13
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-diphenylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1CCc2sccc2C1
InChIInChI=1S/C22H21NOS/c24-22(23-13-11-21-19(16-23)12-14-25-21)15-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,12,14,20H,11,13,15-16H2
InChIKeyMMAMBAIIQKIMED-UHFFFAOYSA-N
XLogP4.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-diphenylpropan-1-one?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-diphenylpropan-1-one (CID 42470191) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-diphenylpropan-1-one.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-diphenylpropan-1-one?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-diphenylpropan-1-one is O=C(CC(c1ccccc1)c1ccccc1)N1CCc2sccc2C1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-diphenylpropan-1-one?
The InChIKey is MMAMBAIIQKIMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NOS/c24-22(23-13-11-21-19(16-23)12-14-25-21)15-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,12,14,20H,11,13,15-16H2.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-diphenylpropan-1-one?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-diphenylpropan-1-one has a molecular weight of 347.48 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-diphenylpropan-1-one is sourced from PubChem (CID 42470191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).