5-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(6-piperidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

C20H24N6OS — CID 166475107

IUPAC5-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(6-piperidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESC/N=C/C(=C\N)N1CCc2nc(-c3ccc(N4CCCCC4)nc3)sc2C1=O
InChIInChI=1S/C20H24N6OS/c1-22-13-15(11-21)26-10-7-16-18(20(26)27)28-19(24-16)14-5-6-17(23-12-14)25-8-3-2-4-9-25/h5-6,11-13H,2-4,7-10,21H2,1H3/b15-11+,22-13+
InChIKeyLOXIPLFEZLNOSA-WGVPOOSNSA-N
MW396.52 g/mol
LogP2.69
Rot. Bonds4

About 5-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(6-piperidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

5-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(6-piperidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 166475107) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is 5-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(6-piperidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name5-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(6-piperidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID166475107
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC Name5-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(6-piperidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESC/N=C/C(=C\N)N1CCc2nc(-c3ccc(N4CCCCC4)nc3)sc2C1=O
InChIInChI=1S/C20H24N6OS/c1-22-13-15(11-21)26-10-7-16-18(20(26)27)28-19(24-16)14-5-6-17(23-12-14)25-8-3-2-4-9-25/h5-6,11-13H,2-4,7-10,21H2,1H3/b15-11+,22-13+
InChIKeyLOXIPLFEZLNOSA-WGVPOOSNSA-N
XLogP2.69
TPSA87.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(6-piperidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one with MolForge

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Related Compounds

5-(1-amino-3-methyliminoprop-1-en-2-yl)-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 174034328
(E)-2-[2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-4-methylidene-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methyliminoprop-1-en-1-amine
CID 166475099
5-(4-amino-3-fluorophenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 166475237
5-(3-fluoropropyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 167073577
5-(2-fluoroethyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 162180317
2-[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 175548651
[1-[4-[5-(1-amino-3-methyliminoprop-1-en-2-yl)-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3,4-dihydro-2H-azepin-7-yl]piperidin-3-yl] thiohypofluorite
CID 174034316
5-bromo-4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole
CID 155143358
methyl 4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxylate
CID 154752871
5-(6-fluoro-3-pyridinyl)-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 171489058
4-[5-(6-piperidin-1-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]benzoic acid;hydrochloride
CID 70055756
2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 175548729

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(6-piperidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 5-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(6-piperidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 166475107) is 5-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(6-piperidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 5-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(6-piperidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 5-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(6-piperidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is C/N=C/C(=C\N)N1CCc2nc(-c3ccc(N4CCCCC4)nc3)sc2C1=O.
What is the InChIKey of 5-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(6-piperidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is LOXIPLFEZLNOSA-WGVPOOSNSA-N. The full InChI is InChI=1S/C20H24N6OS/c1-22-13-15(11-21)26-10-7-16-18(20(26)27)28-19(24-16)14-5-6-17(23-12-14)25-8-3-2-4-9-25/h5-6,11-13H,2-4,7-10,21H2,1H3/b15-11+,22-13+.
What are the key properties of 5-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(6-piperidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
5-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(6-piperidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 396.52 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(6-piperidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 166475107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).