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

C22H18N2O2S2 — CID 86973481

IUPAC2-(5-phenyl-1,2-oxazol-3-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESO=C(Cc1cc(-c2ccccc2)on1)N1CCc2sccc2C1c1cccs1
InChIInChI=1S/C22H18N2O2S2/c25-21(14-16-13-18(26-23-16)15-5-2-1-3-6-15)24-10-8-19-17(9-12-28-19)22(24)20-7-4-11-27-20/h1-7,9,11-13,22H,8,10,14H2
InChIKeyYTLPOTDMLCFVGU-UHFFFAOYSA-N
MW406.53 g/mol
LogP5.18
Rot. Bonds4

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

2-(5-phenyl-1,2-oxazol-3-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (PubChem CID 86973481) has the molecular formula C22H18N2O2S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-(5-phenyl-1,2-oxazol-3-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-(5-phenyl-1,2-oxazol-3-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
PubChem CID86973481
Molecular FormulaC22H18N2O2S2
Molecular Weight406.53 g/mol
Exact Mass406.08
IUPAC Name2-(5-phenyl-1,2-oxazol-3-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESO=C(Cc1cc(-c2ccccc2)on1)N1CCc2sccc2C1c1cccs1
InChIInChI=1S/C22H18N2O2S2/c25-21(14-16-13-18(26-23-16)15-5-2-1-3-6-15)24-10-8-19-17(9-12-28-19)22(24)20-7-4-11-27-20/h1-7,9,11-13,22H,8,10,14H2
InChIKeyYTLPOTDMLCFVGU-UHFFFAOYSA-N
XLogP5.18
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(5-phenyl-1,2-oxazol-3-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone 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

2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 26207456
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 16577033
3-[2-oxo-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 26002901
1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 55686113
(2-phenyl-1,3-thiazol-4-yl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 55440089
N-[4-[2-oxo-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]phenyl]acetamide
CID 9075486
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 41012822
3-(2-methoxyphenyl)-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 9075123
2-naphthalen-2-yloxy-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9074657
2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 24580132
2-(3-fluoro-4-methoxyphenyl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 18272103
N-[(1S)-3-oxo-1-phenyl-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide
CID 9074692

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyl-1,2-oxazol-3-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-(5-phenyl-1,2-oxazol-3-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (CID 86973481) is 2-(5-phenyl-1,2-oxazol-3-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-(5-phenyl-1,2-oxazol-3-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-(5-phenyl-1,2-oxazol-3-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is O=C(Cc1cc(-c2ccccc2)on1)N1CCc2sccc2C1c1cccs1.
What is the InChIKey of 2-(5-phenyl-1,2-oxazol-3-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The InChIKey is YTLPOTDMLCFVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S2/c25-21(14-16-13-18(26-23-16)15-5-2-1-3-6-15)24-10-8-19-17(9-12-28-19)22(24)20-7-4-11-27-20/h1-7,9,11-13,22H,8,10,14H2.
What are the key properties of 2-(5-phenyl-1,2-oxazol-3-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
2-(5-phenyl-1,2-oxazol-3-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone has a molecular weight of 406.53 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyl-1,2-oxazol-3-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 86973481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).