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

C21H17N3O3S2 — CID 26002901

IUPAC3-[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
SMILESO=C(Cn1nc(-c2ccccc2)oc1=O)N1CCc2sccc2[C@H]1c1cccs1
InChIInChI=1S/C21H17N3O3S2/c25-18(13-24-21(26)27-20(22-24)14-5-2-1-3-6-14)23-10-8-16-15(9-12-29-16)19(23)17-7-4-11-28-17/h1-7,9,11-12,19H,8,10,13H2/t19-/m0/s1
InChIKeyCCXUNHUOLMBCNJ-IBGZPJMESA-N
MW423.52 g/mol
LogP3.80
Rot. Bonds4

About 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

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 (PubChem CID 26002901) has the molecular formula C21H17N3O3S2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID26002901
Molecular FormulaC21H17N3O3S2
Molecular Weight423.52 g/mol
Exact Mass423.07
IUPAC Name3-[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
SMILESO=C(Cn1nc(-c2ccccc2)oc1=O)N1CCc2sccc2[C@H]1c1cccs1
InChIInChI=1S/C21H17N3O3S2/c25-18(13-24-21(26)27-20(22-24)14-5-2-1-3-6-14)23-10-8-16-15(9-12-29-16)19(23)17-7-4-11-28-17/h1-7,9,11-12,19H,8,10,13H2/t19-/m0/s1
InChIKeyCCXUNHUOLMBCNJ-IBGZPJMESA-N
XLogP3.80
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
3-[2-oxo-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 42920440
(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
2-(3-hydroxypiperidin-1-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 47015675
2-(2-ethylbenzimidazol-1-yl)-1-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 41041927
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
(5S)-5-ethyl-5-methyl-3-[2-oxo-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]imidazolidine-2,4-dione
CID 40844552
(1-phenylpyrazol-3-yl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 55668318
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
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
3-methyl-2-[3-oxo-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinazolin-4-one
CID 17494738

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(Cn1nc(-c2ccccc2)oc1=O)N1CCc2sccc2[C@H]1c1cccs1.
What is the InChIKey of 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?
The InChIKey is CCXUNHUOLMBCNJ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H17N3O3S2/c25-18(13-24-21(26)27-20(22-24)14-5-2-1-3-6-14)23-10-8-16-15(9-12-29-16)19(23)17-7-4-11-28-17/h1-7,9,11-12,19H,8,10,13H2/t19-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 423.52 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 26002901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).