2-(spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-ylamino)-4H-[1,3]thiazolo[5,4-b]pyridin-5-one

C15H18N6OS — CID 72709421

IUPAC2-(spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-ylamino)-4H-[1,3]thiazolo[5,4-b]pyridin-5-one
SMILESO=c1ccc2nc(NC3=NCC4(CN5CCC4CC5)N3)sc2[nH]1
InChIInChI=1S/C15H18N6OS/c22-11-2-1-10-12(18-11)23-14(17-10)19-13-16-7-15(20-13)8-21-5-3-9(15)4-6-21/h1-2,9H,3-8H2,(H,18,22)(H2,16,17,19,20)
InChIKeyDKBNQTPVIJFTNP-UHFFFAOYSA-N
MW330.42 g/mol
LogP0.82
Rot. Bonds1

About 2-(spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-ylamino)-4H-[1,3]thiazolo[5,4-b]pyridin-5-one

2-(spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-ylamino)-4H-[1,3]thiazolo[5,4-b]pyridin-5-one (PubChem CID 72709421) has the molecular formula C15H18N6OS and a molecular weight of 330.42 g/mol. Its IUPAC name is 2-(spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-ylamino)-4H-[1,3]thiazolo[5,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-(spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-ylamino)-4H-[1,3]thiazolo[5,4-b]pyridin-5-one
PubChem CID72709421
Molecular FormulaC15H18N6OS
Molecular Weight330.42 g/mol
Exact Mass330.13
IUPAC Name2-(spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-ylamino)-4H-[1,3]thiazolo[5,4-b]pyridin-5-one
SMILESO=c1ccc2nc(NC3=NCC4(CN5CCC4CC5)N3)sc2[nH]1
InChIInChI=1S/C15H18N6OS/c22-11-2-1-10-12(18-11)23-14(17-10)19-13-16-7-15(20-13)8-21-5-3-9(15)4-6-21/h1-2,9H,3-8H2,(H,18,22)(H2,16,17,19,20)
InChIKeyDKBNQTPVIJFTNP-UHFFFAOYSA-N
XLogP0.82
TPSA85.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-(spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-ylamino)-4H-[1,3]thiazolo[5,4-b]pyridin-5-one with MolForge

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Related Compounds

6-bromo-N-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-[1,3]thiazolo[4,5-b]pyrazin-2-amine
CID 72709343
N-[6-(trifluoromethyl)-1H-indazol-3-yl]spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
CID 140696568
6-(difluoromethoxy)-N-[(2R)-spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-yl]-1,3-benzothiazol-2-amine
CID 141251255
5-fluoro-N-(1'-methylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 72709498
5'-(3-methoxyphenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3,6-dihydro-1H-1,4-diazepine]-7'-one
CID 56930346
(3R)-N-(6-methoxy-1,3-benzothiazol-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 134145411
N-(6-methoxy-1,3-benzothiazol-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 58088161
(2R)-N-(6-methylquinoxalin-2-yl)spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine
CID 141251242
N-(1,3-benzothiazol-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,4'-5H-1,3-oxazole]-2'-amine
CID 141304714
N-(4-methoxy-1,3-benzothiazol-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 134155582
N-(5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine
CID 123764481
(2R,5S)-5-methylspiro[1,3-thiazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-one
CID 767011

Frequently Asked Questions

What is the IUPAC name of 2-(spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-ylamino)-4H-[1,3]thiazolo[5,4-b]pyridin-5-one?
The IUPAC name of 2-(spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-ylamino)-4H-[1,3]thiazolo[5,4-b]pyridin-5-one (CID 72709421) is 2-(spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-ylamino)-4H-[1,3]thiazolo[5,4-b]pyridin-5-one.
What is the SMILES notation for 2-(spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-ylamino)-4H-[1,3]thiazolo[5,4-b]pyridin-5-one?
The canonical SMILES for 2-(spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-ylamino)-4H-[1,3]thiazolo[5,4-b]pyridin-5-one is O=c1ccc2nc(NC3=NCC4(CN5CCC4CC5)N3)sc2[nH]1.
What is the InChIKey of 2-(spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-ylamino)-4H-[1,3]thiazolo[5,4-b]pyridin-5-one?
The InChIKey is DKBNQTPVIJFTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6OS/c22-11-2-1-10-12(18-11)23-14(17-10)19-13-16-7-15(20-13)8-21-5-3-9(15)4-6-21/h1-2,9H,3-8H2,(H,18,22)(H2,16,17,19,20).
What are the key properties of 2-(spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-ylamino)-4H-[1,3]thiazolo[5,4-b]pyridin-5-one?
2-(spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-ylamino)-4H-[1,3]thiazolo[5,4-b]pyridin-5-one has a molecular weight of 330.42 g/mol, XLogP of 0.82, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-ylamino)-4H-[1,3]thiazolo[5,4-b]pyridin-5-one is sourced from PubChem (CID 72709421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).