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

C17H14N6OS — CID 121114367

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide
SMILESCc1ccc2nc(NC(=O)c3ccc(-n4ccnc4C)nn3)sc2c1
InChIInChI=1S/C17H14N6OS/c1-10-3-4-12-14(9-10)25-17(19-12)20-16(24)13-5-6-15(22-21-13)23-8-7-18-11(23)2/h3-9H,1-2H3,(H,19,20,24)
InChIKeyPRBXLVOGTBKVNT-UHFFFAOYSA-N
MW350.41 g/mol
LogP3.14
Rot. Bonds3

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

N-(6-methyl-1,3-benzothiazol-2-yl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide (PubChem CID 121114367) has the molecular formula C17H14N6OS and a molecular weight of 350.41 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide
PubChem CID121114367
Molecular FormulaC17H14N6OS
Molecular Weight350.41 g/mol
Exact Mass350.09
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide
SMILESCc1ccc2nc(NC(=O)c3ccc(-n4ccnc4C)nn3)sc2c1
InChIInChI=1S/C17H14N6OS/c1-10-3-4-12-14(9-10)25-17(19-12)20-16(24)13-5-6-15(22-21-13)23-8-7-18-11(23)2/h3-9H,1-2H3,(H,19,20,24)
InChIKeyPRBXLVOGTBKVNT-UHFFFAOYSA-N
XLogP3.14
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide
CID 4652334
6-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 31809959
4-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 62151806
2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 3809613
4-(carbamoylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 78768294
2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 43952298
3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 104740830
N-(5-chloro-2-cyanophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide
CID 121114365
N-(6-chloro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 121028174
1-[(4-methoxyphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
CID 4776848
2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 79765196
4-chloro-1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide
CID 19475855

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide (CID 121114367) is N-(6-methyl-1,3-benzothiazol-2-yl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide is Cc1ccc2nc(NC(=O)c3ccc(-n4ccnc4C)nn3)sc2c1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide?
The InChIKey is PRBXLVOGTBKVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6OS/c1-10-3-4-12-14(9-10)25-17(19-12)20-16(24)13-5-6-15(22-21-13)23-8-7-18-11(23)2/h3-9H,1-2H3,(H,19,20,24).
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide?
N-(6-methyl-1,3-benzothiazol-2-yl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide has a molecular weight of 350.41 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 121114367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).