6-ethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide

C15H14N4O2S — CID 90509660

IUPAC6-ethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2nc3c(C)cccc3s2)nn1
InChIInChI=1S/C15H14N4O2S/c1-3-21-12-8-7-10(18-19-12)14(20)17-15-16-13-9(2)5-4-6-11(13)22-15/h4-8H,3H2,1-2H3,(H,16,17,20)
InChIKeyUFWRQWQPKWXYKM-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.05
Rot. Bonds4

About 6-ethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide

6-ethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide (PubChem CID 90509660) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 6-ethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide
PubChem CID90509660
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name6-ethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2nc3c(C)cccc3s2)nn1
InChIInChI=1S/C15H14N4O2S/c1-3-21-12-8-7-10(18-19-12)14(20)17-15-16-13-9(2)5-4-6-11(13)22-15/h4-8H,3H2,1-2H3,(H,16,17,20)
InChIKeyUFWRQWQPKWXYKM-UHFFFAOYSA-N
XLogP3.05
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 47293501
4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 974126
2-hydroxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126545
3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 12646557
(E)-3-(4-ethoxyphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)prop-2-enamide
CID 19212170
methyl 2-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 43952216
3-methoxy-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126566
4-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 4551607
4-ethylsulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7579181
4-(diethylamino)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 5072919
6-(4-benzylpiperidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide
CID 121028505
3-amino-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
CID 18138512

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-ethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide (CID 90509660) is 6-ethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-ethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-ethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide is CCOc1ccc(C(=O)Nc2nc3c(C)cccc3s2)nn1.
What is the InChIKey of 6-ethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide?
The InChIKey is UFWRQWQPKWXYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-3-21-12-8-7-10(18-19-12)14(20)17-15-16-13-9(2)5-4-6-11(13)22-15/h4-8H,3H2,1-2H3,(H,16,17,20).
What are the key properties of 6-ethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide?
6-ethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 90509660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).