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

C16H17NOS — CID 62023515

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)CN1CCc2sccc2C1
InChIInChI=1S/C16H17NOS/c18-15(10-13-4-2-1-3-5-13)12-17-8-6-16-14(11-17)7-9-19-16/h1-5,7,9H,6,8,10-12H2
InChIKeyVBNKEIGSRRXEDY-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.92
Rot. Bonds4

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

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-phenylpropan-2-one (PubChem CID 62023515) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-phenylpropan-2-one
PubChem CID62023515
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)CN1CCc2sccc2C1
InChIInChI=1S/C16H17NOS/c18-15(10-13-4-2-1-3-5-13)12-17-8-6-16-14(11-17)7-9-19-16/h1-5,7,9H,6,8,10-12H2
InChIKeyVBNKEIGSRRXEDY-UHFFFAOYSA-N
XLogP2.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(benzylcarbamoyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 18137945
5-(2-chloroprop-2-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 130636672
1-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 62023511
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylpropanoic acid
CID 63069623
3-[benzyl-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]propanamide
CID 41361089
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 41367420
5-(3-phenylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 52551128
1-(azepan-1-yl)-3-phenylpropan-2-one
CID 43794492
(E)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)but-2-enoic acid
CID 62344122
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethylpropanoic acid
CID 62272475
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-fluorophenyl)acetamide
CID 17497850
N-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 18008469

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-phenylpropan-2-one?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-phenylpropan-2-one (CID 62023515) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-phenylpropan-2-one.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-phenylpropan-2-one?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-phenylpropan-2-one is O=C(Cc1ccccc1)CN1CCc2sccc2C1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-phenylpropan-2-one?
The InChIKey is VBNKEIGSRRXEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c18-15(10-13-4-2-1-3-5-13)12-17-8-6-16-14(11-17)7-9-19-16/h1-5,7,9H,6,8,10-12H2.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-phenylpropan-2-one?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-phenylpropan-2-one has a molecular weight of 271.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 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-phenylpropan-2-one is sourced from PubChem (CID 62023515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).