1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide

C19H18N4O2S — CID 2482039

IUPAC1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C19H18N4O2S/c24-17-11-10-15(22-23(17)12-13-6-2-1-3-7-13)18(25)21-19-20-14-8-4-5-9-16(14)26-19/h1-3,6-7,10-11H,4-5,8-9,12H2,(H,20,21,25)
InChIKeyPZGJJVFNYIQDGF-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.88
Rot. Bonds4

About 1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide

1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide (PubChem CID 2482039) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide
PubChem CID2482039
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C19H18N4O2S/c24-17-11-10-15(22-23(17)12-13-6-2-1-3-7-13)18(25)21-19-20-14-8-4-5-9-16(14)26-19/h1-3,6-7,10-11H,4-5,8-9,12H2,(H,20,21,25)
InChIKeyPZGJJVFNYIQDGF-UHFFFAOYSA-N
XLogP2.88
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridazine-3-carboxamide
CID 121067050
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 2439718
6-oxo-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-propylpyridazine-3-carboxamide
CID 86852038
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 5140427
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 33040140
2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
CID 53367656
1-benzyl-N-(2-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 42993626
1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 41247714
2-N-benzyl-2-N-methyl-1-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 2545950
2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 121052076
1-benzyl-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-6-oxopyridazine-3-carboxamide
CID 2466506
1-benzyl-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide
CID 36782371

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide (CID 2482039) is 1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide is O=C(Nc1nc2c(s1)CCCC2)c1ccc(=O)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide?
The InChIKey is PZGJJVFNYIQDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c24-17-11-10-15(22-23(17)12-13-6-2-1-3-7-13)18(25)21-19-20-14-8-4-5-9-16(14)26-19/h1-3,6-7,10-11H,4-5,8-9,12H2,(H,20,21,25).
What are the key properties of 1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide?
1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 2482039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).