6-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)pyridazine-3-carboxamide

C16H12N6OS — CID 71791752

IUPAC6-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)pyridazine-3-carboxamide
SMILESCc1nc2cc(NC(=O)c3ccc(-n4ccnc4)nn3)ccc2s1
InChIInChI=1S/C16H12N6OS/c1-10-18-13-8-11(2-4-14(13)24-10)19-16(23)12-3-5-15(21-20-12)22-7-6-17-9-22/h2-9H,1H3,(H,19,23)
InChIKeyBGNMOKPYOAQBHP-UHFFFAOYSA-N
MW336.38 g/mol
LogP2.83
Rot. Bonds3

About 6-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)pyridazine-3-carboxamide

6-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)pyridazine-3-carboxamide (PubChem CID 71791752) has the molecular formula C16H12N6OS and a molecular weight of 336.38 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)pyridazine-3-carboxamide
PubChem CID71791752
Molecular FormulaC16H12N6OS
Molecular Weight336.38 g/mol
Exact Mass336.08
IUPAC Name6-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)pyridazine-3-carboxamide
SMILESCc1nc2cc(NC(=O)c3ccc(-n4ccnc4)nn3)ccc2s1
InChIInChI=1S/C16H12N6OS/c1-10-18-13-8-11(2-4-14(13)24-10)19-16(23)12-3-5-15(21-20-12)22-7-6-17-9-22/h2-9H,1H3,(H,19,23)
InChIKeyBGNMOKPYOAQBHP-UHFFFAOYSA-N
XLogP2.83
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)pyridazine-3-carboxamide (CID 71791752) is 6-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)pyridazine-3-carboxamide is Cc1nc2cc(NC(=O)c3ccc(-n4ccnc4)nn3)ccc2s1.
What is the InChIKey of 6-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)pyridazine-3-carboxamide?
The InChIKey is BGNMOKPYOAQBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6OS/c1-10-18-13-8-11(2-4-14(13)24-10)19-16(23)12-3-5-15(21-20-12)22-7-6-17-9-22/h2-9H,1H3,(H,19,23).
What are the key properties of 6-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)pyridazine-3-carboxamide?
6-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)pyridazine-3-carboxamide has a molecular weight of 336.38 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 71791752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).