N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C15H14N4O4S — CID 24599284

IUPACN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)CCC1=O
InChIInChI=1S/C15H14N4O4S/c1-19-13(20)3-2-8(18-19)14(21)17-15-16-9-6-10-11(7-12(9)24-15)23-5-4-22-10/h6-7H,2-5H2,1H3,(H,16,17,21)
InChIKeyXPKWRMMJJCUWCC-UHFFFAOYSA-N
MW346.37 g/mol
LogP1.61
Rot. Bonds2

About N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 24599284) has the molecular formula C15H14N4O4S and a molecular weight of 346.37 g/mol. Its IUPAC name is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID24599284
Molecular FormulaC15H14N4O4S
Molecular Weight346.37 g/mol
Exact Mass346.07
IUPAC NameN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)CCC1=O
InChIInChI=1S/C15H14N4O4S/c1-19-13(20)3-2-8(18-19)14(21)17-15-16-9-6-10-11(7-12(9)24-15)23-5-4-22-10/h6-7H,2-5H2,1H3,(H,16,17,21)
InChIKeyXPKWRMMJJCUWCC-UHFFFAOYSA-N
XLogP1.61
TPSA93.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 17418799
2,5-dichloro-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide
CID 7202838
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-methylsulfanylbenzamide
CID 7565461
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 40959861
1-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 4877035
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55380941
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methylbutanamide
CID 24626023
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide
CID 55368380
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)acetamide
CID 5310257
1-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 78826199
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 18164879
2-cyano-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)propanamide
CID 154837909

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 24599284) is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)CCC1=O.
What is the InChIKey of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is XPKWRMMJJCUWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4S/c1-19-13(20)3-2-8(18-19)14(21)17-15-16-9-6-10-11(7-12(9)24-15)23-5-4-22-10/h6-7H,2-5H2,1H3,(H,16,17,21).
What are the key properties of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 346.37 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 24599284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).