N-(1,3-benzothiazol-2-yl)-1-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide

C17H18N4O2S — CID 2079903

IUPACN-(1,3-benzothiazol-2-yl)-1-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
SMILESCC(C)CN(C(=O)c1ccc(=O)n(C)n1)c1nc2ccccc2s1
InChIInChI=1S/C17H18N4O2S/c1-11(2)10-21(16(23)13-8-9-15(22)20(3)19-13)17-18-12-6-4-5-7-14(12)24-17/h4-9,11H,10H2,1-3H3
InChIKeyKQIAANASJFKIPV-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.69
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-1-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide

N-(1,3-benzothiazol-2-yl)-1-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide (PubChem CID 2079903) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
PubChem CID2079903
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-(1,3-benzothiazol-2-yl)-1-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
SMILESCC(C)CN(C(=O)c1ccc(=O)n(C)n1)c1nc2ccccc2s1
InChIInChI=1S/C17H18N4O2S/c1-11(2)10-21(16(23)13-8-9-15(22)20(3)19-13)17-18-12-6-4-5-7-14(12)24-17/h4-9,11H,10H2,1-3H3
InChIKeyKQIAANASJFKIPV-UHFFFAOYSA-N
XLogP2.69
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide (CID 2079903) is N-(1,3-benzothiazol-2-yl)-1-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide is CC(C)CN(C(=O)c1ccc(=O)n(C)n1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is KQIAANASJFKIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-11(2)10-21(16(23)13-8-9-15(22)20(3)19-13)17-18-12-6-4-5-7-14(12)24-17/h4-9,11H,10H2,1-3H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-1-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-1-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-1-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 2079903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).