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

C18H22N2O2S2 — CID 42962076

IUPAC1-morpholin-4-yl-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
SMILESO=C(CCN1CCc2sccc2C1c1cccs1)N1CCOCC1
InChIInChI=1S/C18H22N2O2S2/c21-17(19-8-10-22-11-9-19)4-7-20-6-3-15-14(5-13-24-15)18(20)16-2-1-12-23-16/h1-2,5,12-13,18H,3-4,6-11H2
InChIKeyYAEWFBNMKPDOGR-UHFFFAOYSA-N
MW362.52 g/mol
LogP3.01
Rot. Bonds4

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

1-morpholin-4-yl-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one (PubChem CID 42962076) has the molecular formula C18H22N2O2S2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
PubChem CID42962076
Molecular FormulaC18H22N2O2S2
Molecular Weight362.52 g/mol
Exact Mass362.11
IUPAC Name1-morpholin-4-yl-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
SMILESO=C(CCN1CCc2sccc2C1c1cccs1)N1CCOCC1
InChIInChI=1S/C18H22N2O2S2/c21-17(19-8-10-22-11-9-19)4-7-20-6-3-15-14(5-13-24-15)18(20)16-2-1-12-23-16/h1-2,5,12-13,18H,3-4,6-11H2
InChIKeyYAEWFBNMKPDOGR-UHFFFAOYSA-N
XLogP3.01
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(azocan-1-yl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9129368
N-(2,6-dichlorophenyl)-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide
CID 24589322
1-morpholin-4-yl-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 26377272
5-butyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 75853568
1-(4-methylsulfonylpiperazin-1-yl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 40817492
N-carbamoyl-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 26671732
3-[(4S)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-[4-(2-thiophen-2-ylacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 93008439
ethyl 4-[4-[3-[(4S)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propanoyl]piperazin-1-yl]-4-oxobutanoate
CID 93008422
N-(4-chloro-2-fluorophenyl)-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide
CID 55482541
[3-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxetan-3-yl]methanol
CID 111976545
1-(2,3-dihydroindol-1-yl)-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 46615492
N-phenyl-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128634

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one (CID 42962076) is 1-morpholin-4-yl-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one is O=C(CCN1CCc2sccc2C1c1cccs1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one?
The InChIKey is YAEWFBNMKPDOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S2/c21-17(19-8-10-22-11-9-19)4-7-20-6-3-15-14(5-13-24-15)18(20)16-2-1-12-23-16/h1-2,5,12-13,18H,3-4,6-11H2.
What are the key properties of 1-morpholin-4-yl-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one?
1-morpholin-4-yl-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one has a molecular weight of 362.52 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 42962076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).