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

C17H19NOS — CID 3525581

IUPAC1-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
SMILESCCC(=O)N1CCc2sccc2C1c1ccccc1C
InChIInChI=1S/C17H19NOS/c1-3-16(19)18-10-8-15-14(9-11-20-15)17(18)13-7-5-4-6-12(13)2/h4-7,9,11,17H,3,8,10H2,1-2H3
InChIKeyOOGMDNLVPXZVHG-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.94
Rot. Bonds2

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

1-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one (PubChem CID 3525581) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
PubChem CID3525581
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name1-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
SMILESCCC(=O)N1CCc2sccc2C1c1ccccc1C
InChIInChI=1S/C17H19NOS/c1-3-16(19)18-10-8-15-14(9-11-20-15)17(18)13-7-5-4-6-12(13)2/h4-7,9,11,17H,3,8,10H2,1-2H3
InChIKeyOOGMDNLVPXZVHG-UHFFFAOYSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4-Chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-yl](cyclopropyl)methanone
CID 2739312
5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 3041293
N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 67512015
(4S,9aS)-4-phenyl-4,5,7,8,9,9a-hexahydrothieno[2,3-g]indolizine;hydrobromide
CID 54584696
13-Ethyl-14-thia-1-azatetracyclo[8.7.0.03,8.011,15]heptadeca-3,5,7,11(15),12-pentaene
CID 145954173
3,4-dihydro-1H-isoquinolin-2-yl-(3-methylthiophen-2-yl)methanone
CID 24820072
(3-methylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 24978700
(4-Benzylpiperidin-1-yl)(thiophen-2-yl)methanone
CID 779610
Thiophene-2-carboxylic acid [1-(3,3-diphenyl-propyl)-piperidin-4-yl]-methyl-amide
CID 44392078
2-(2-methylbutylamino)-1-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 71738783
Thieno(3,2-c)pyridine, 4,5,6,7-tetrahydro-5-((2-methylphenyl)methyl)-, monohydrochloride
CID 3041292
3-Phenyl-1-(2-thienylcarbonyl)piperidine
CID 2893479

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one?
The IUPAC name of 1-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one (CID 3525581) is 1-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one.
What is the SMILES notation for 1-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one?
The canonical SMILES for 1-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one is CCC(=O)N1CCc2sccc2C1c1ccccc1C.
What is the InChIKey of 1-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one?
The InChIKey is OOGMDNLVPXZVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-3-16(19)18-10-8-15-14(9-11-20-15)17(18)13-7-5-4-6-12(13)2/h4-7,9,11,17H,3,8,10H2,1-2H3.
What are the key properties of 1-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one?
1-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one has a molecular weight of 285.41 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one is sourced from PubChem (CID 3525581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).