2-[6-(6-aminopyridazin-3-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

C20H20N6O2S — CID 44580277

IUPAC2-[6-(6-aminopyridazin-3-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCC1(C)Cc2nc(N3CCOc4ccc(-c5ccc(N)nn5)cc43)sc2C(=O)N1
InChIInChI=1S/C20H20N6O2S/c1-20(2)10-13-17(18(27)23-20)29-19(22-13)26-7-8-28-15-5-3-11(9-14(15)26)12-4-6-16(21)25-24-12/h3-6,9H,7-8,10H2,1-2H3,(H2,21,25)(H,23,27)
InChIKeyZUYDFKYSXSOHGV-UHFFFAOYSA-N
MW408.49 g/mol
LogP2.78
Rot. Bonds2

About 2-[6-(6-aminopyridazin-3-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

2-[6-(6-aminopyridazin-3-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 44580277) has the molecular formula C20H20N6O2S and a molecular weight of 408.49 g/mol. Its IUPAC name is 2-[6-(6-aminopyridazin-3-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name2-[6-(6-aminopyridazin-3-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID44580277
Molecular FormulaC20H20N6O2S
Molecular Weight408.49 g/mol
Exact Mass408.14
IUPAC Name2-[6-(6-aminopyridazin-3-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCC1(C)Cc2nc(N3CCOc4ccc(-c5ccc(N)nn5)cc43)sc2C(=O)N1
InChIInChI=1S/C20H20N6O2S/c1-20(2)10-13-17(18(27)23-20)29-19(22-13)26-7-8-28-15-5-3-11(9-14(15)26)12-4-6-16(21)25-24-12/h3-6,9H,7-8,10H2,1-2H3,(H2,21,25)(H,23,27)
InChIKeyZUYDFKYSXSOHGV-UHFFFAOYSA-N
XLogP2.78
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[6-(6-aminopyridazin-3-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one with MolForge

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Related Compounds

2-(6-(1-(2-hydroxy-2-methylpropyl)-1H-pyrazol-4-yl)-2H-benzo[b][1,4]oxazin-4(3H)-yl)-6,6-dimethyl-6,7-dihydrothiazolo[5,4-c]pyridin-4(5H)-one
CID 24855887
6,6-dimethyl-2-(6-(6-methylpyridazin-3-ylamino)-2H-benzo[b][1,4]oxazin-4(3H)-yl)-6,7-dihydrothiazolo[5,4-c]pyridin-4(5H)-one
CID 25032963
6,6-dimethyl-2-(6-(1-methyl-1H-pyrazol-4-yl)-2H-benzo[b][1,4]oxazin-4(3H)-yl)-6,7-dihydrothiazolo[5,4-c]pyridin-4(5H)-one
CID 25052783
6,6-dimethyl-2-(6-(6-methylpyridin-3-yl)-2,3-dihydrobenzo[b][1,4]oxazin-4-yl)-6,7-dihydrothiazolo[5,4-c]pyridin-4(5H)-one
CID 44577639
6,6-dimethyl-2-(6-(pyrimidin-2-yl)-2,3-dihydrobenzo[b][1,4]oxazin-4-yl)-6,7-dihydrothiazolo[5,4-c]pyridin-4(5H)-one
CID 44577641
2-(2,3-dihydrobenzo[b][1,4]oxazin-4-yl)-6,6-dimethyl-6,7-dihydrothiazolo[5,4-c]pyridin-4(5H)-one
CID 44577850
6,6-dimethyl-2-(6-phenyl-2,3-dihydrobenzo[b][1,4]oxazin-4-yl)-6,7-dihydrothiazolo[5,4-c]pyridin-4(5H)-one
CID 44577916
2-(6-cyclopropyl-2,3-dihydrobenzo[b][1,4]oxazin-4-yl)-6,6-dimethyl-6,7-dihydrothiazolo[5,4-c]pyridin-4(5H)-one
CID 44577917
2-(6-(1H-pyrazol-5-yl)-2,3-dihydrobenzo[b][1,4]oxazin-4-yl)-6,6-dimethyl-6,7-dihydrothiazolo[5,4-c]pyridin-4(5H)-one
CID 44577921
6,6-dimethyl-2-(6-(2-methyl-1H-imidazol-4-yl)-2,3-dihydrobenzo[b][1,4]oxazin-4-yl)-6,7-dihydrothiazolo[5,4-c]pyridin-4(5H)-one
CID 44577922
6,6-dimethyl-2-(6-(1-methyl-1H-imidazol-2-yl)-2,3-dihydrobenzo[b][1,4]oxazin-4-yl)-6,7-dihydrothiazolo[5,4-c]pyridin-4(5H)-one
CID 44577950
6,6-dimethyl-2-(6-methyl-2,3-dihydrobenzo[b][1,4]oxazin-4-yl)-6,7-dihydrothiazolo[5,4-c]pyridin-4(5H)-one
CID 44577953

Frequently Asked Questions

What is the IUPAC name of 2-[6-(6-aminopyridazin-3-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 2-[6-(6-aminopyridazin-3-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 44580277) is 2-[6-(6-aminopyridazin-3-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 2-[6-(6-aminopyridazin-3-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 2-[6-(6-aminopyridazin-3-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is CC1(C)Cc2nc(N3CCOc4ccc(-c5ccc(N)nn5)cc43)sc2C(=O)N1.
What is the InChIKey of 2-[6-(6-aminopyridazin-3-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is ZUYDFKYSXSOHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2S/c1-20(2)10-13-17(18(27)23-20)29-19(22-13)26-7-8-28-15-5-3-11(9-14(15)26)12-4-6-16(21)25-24-12/h3-6,9H,7-8,10H2,1-2H3,(H2,21,25)(H,23,27).
What are the key properties of 2-[6-(6-aminopyridazin-3-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
2-[6-(6-aminopyridazin-3-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 408.49 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(6-aminopyridazin-3-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 44580277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).