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

C21H17N3OS3 — CID 26207456

IUPAC2-(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
SMILESO=C(Cc1csc(-c2ccccn2)n1)N1CCc2sccc2[C@@H]1c1cccs1
InChIInChI=1S/C21H17N3OS3/c25-19(12-14-13-28-21(23-14)16-4-1-2-8-22-16)24-9-6-17-15(7-11-27-17)20(24)18-5-3-10-26-18/h1-5,7-8,10-11,13,20H,6,9,12H2/t20-/m1/s1
InChIKeyRFGZPAFRLXZZAQ-HXUWFJFHSA-N
MW423.59 g/mol
LogP5.04
Rot. Bonds4

About 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

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 (PubChem CID 26207456) has the molecular formula C21H17N3OS3 and a molecular weight of 423.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID26207456
Molecular FormulaC21H17N3OS3
Molecular Weight423.59 g/mol
Exact Mass423.05
IUPAC Name2-(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
SMILESO=C(Cc1csc(-c2ccccn2)n1)N1CCc2sccc2[C@@H]1c1cccs1
InChIInChI=1S/C21H17N3OS3/c25-19(12-14-13-28-21(23-14)16-4-1-2-8-22-16)24-9-6-17-15(7-11-27-17)20(24)18-5-3-10-26-18/h1-5,7-8,10-11,13,20H,6,9,12H2/t20-/m1/s1
InChIKeyRFGZPAFRLXZZAQ-HXUWFJFHSA-N
XLogP5.04
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.59
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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
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-methoxyphenoxy)-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9074713
(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
1-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 94643466
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-[2-oxo-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzamide
CID 9075638
2-(2-propoxyphenoxy)-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9075071
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
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride
CID 119632087
2-(2-propan-2-ylphenoxy)-1-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9075079

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(Cc1csc(-c2ccccn2)n1)N1CCc2sccc2[C@@H]1c1cccs1.
What is the InChIKey of 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?
The InChIKey is RFGZPAFRLXZZAQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H17N3OS3/c25-19(12-14-13-28-21(23-14)16-4-1-2-8-22-16)24-9-6-17-15(7-11-27-17)20(24)18-5-3-10-26-18/h1-5,7-8,10-11,13,20H,6,9,12H2/t20-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 423.59 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 26207456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).