2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone

C20H21N5O2S — CID 138031585

IUPAC2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone
SMILESO=C(Cc1csc(-c2ccccn2)n1)N1CCc2[nH]cnc2C12CCOCC2
InChIInChI=1S/C20H21N5O2S/c26-17(11-14-12-28-19(24-14)16-3-1-2-7-21-16)25-8-4-15-18(23-13-22-15)20(25)5-9-27-10-6-20/h1-3,7,12-13H,4-6,8-11H2,(H,22,23)
InChIKeyNEYILDFQGNKEJC-UHFFFAOYSA-N
MW395.49 g/mol
LogP2.56
Rot. Bonds3

About 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone

2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone (PubChem CID 138031585) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone.

Molecular Properties

Compound Name2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone
PubChem CID138031585
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC Name2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone
SMILESO=C(Cc1csc(-c2ccccn2)n1)N1CCc2[nH]cnc2C12CCOCC2
InChIInChI=1S/C20H21N5O2S/c26-17(11-14-12-28-19(24-14)16-3-1-2-7-21-16)25-8-4-15-18(23-13-22-15)20(25)5-9-27-10-6-20/h1-3,7,12-13H,4-6,8-11H2,(H,22,23)
InChIKeyNEYILDFQGNKEJC-UHFFFAOYSA-N
XLogP2.56
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone with MolForge

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Related Compounds

1-morpholin-4-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 33236750
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CID 94643466
N-[(1R,2R)-2-morpholin-4-ylcyclopropyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 154760893
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 27049046
1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 31794170
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride
CID 119632087
1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 51269760
1-[(3aR,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 122141584
N-pentan-3-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17434682
1-[1'-(4-methylquinolin-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
CID 72937377
1-[1'-(2-chlorobenzoyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone
CID 72849676
methyl 1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 55513102

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone?
The IUPAC name of 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone (CID 138031585) is 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone.
What is the SMILES notation for 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone?
The canonical SMILES for 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone is O=C(Cc1csc(-c2ccccn2)n1)N1CCc2[nH]cnc2C12CCOCC2.
What is the InChIKey of 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone?
The InChIKey is NEYILDFQGNKEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c26-17(11-14-12-28-19(24-14)16-3-1-2-7-21-16)25-8-4-15-18(23-13-22-15)20(25)5-9-27-10-6-20/h1-3,7,12-13H,4-6,8-11H2,(H,22,23).
What are the key properties of 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone?
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone has a molecular weight of 395.49 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 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-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone is sourced from PubChem (CID 138031585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).