2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(4-propan-2-ylphenyl)ethanone

C18H21NOS — CID 62023323

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)CN2CCc3sccc3C2)cc1
InChIInChI=1S/C18H21NOS/c1-13(2)14-3-5-15(6-4-14)17(20)12-19-9-7-18-16(11-19)8-10-21-18/h3-6,8,10,13H,7,9,11-12H2,1-2H3
InChIKeyZXFHULMRLLRLRL-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.11
Rot. Bonds4

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

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 62023323) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(4-propan-2-ylphenyl)ethanone
PubChem CID62023323
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)CN2CCc3sccc3C2)cc1
InChIInChI=1S/C18H21NOS/c1-13(2)14-3-5-15(6-4-14)17(20)12-19-9-7-18-16(11-19)8-10-21-18/h3-6,8,10,13H,7,9,11-12H2,1-2H3
InChIKeyZXFHULMRLLRLRL-UHFFFAOYSA-N
XLogP4.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(4-propan-2-ylphenyl)ethanone with MolForge

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Related Compounds

1-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 62023511
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 41367420
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 41361454
2-(4-methyl-1,4-diazepan-1-yl)-1-(4-propan-2-ylphenyl)ethanone
CID 43228365
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methyl-1-phenylpropan-1-one
CID 62614127
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 60721342
N-[4-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]phenyl]-3-methylbutanamide
CID 60563640
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-phenylpropan-2-one
CID 62023515
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethylpropanoic acid
CID 62272475
N-[(1R)-1-(4-cyanophenyl)ethyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylacetamide
CID 97099110
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(4-propan-2-ylphenyl)ethanone
CID 63026239
2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 60501926

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(4-propan-2-ylphenyl)ethanone (CID 62023323) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(C(=O)CN2CCc3sccc3C2)cc1.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is ZXFHULMRLLRLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-13(2)14-3-5-15(6-4-14)17(20)12-19-9-7-18-16(11-19)8-10-21-18/h3-6,8,10,13H,7,9,11-12H2,1-2H3.
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(4-propan-2-ylphenyl)ethanone?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 299.44 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 62023323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).