N-(2,1,3-benzothiadiazol-4-yl)-2-cyclopropylimidazo[1,2-b]pyridazine-6-carboxamide

C16H12N6OS — CID 155977260

IUPACN-(2,1,3-benzothiadiazol-4-yl)-2-cyclopropylimidazo[1,2-b]pyridazine-6-carboxamide
SMILESO=C(Nc1cccc2nsnc12)c1ccc2nc(C3CC3)cn2n1
InChIInChI=1S/C16H12N6OS/c23-16(18-10-2-1-3-11-15(10)21-24-20-11)12-6-7-14-17-13(9-4-5-9)8-22(14)19-12/h1-3,6-9H,4-5H2,(H,18,23)
InChIKeyRQJLRUHDFNSBKY-UHFFFAOYSA-N
MW336.38 g/mol
LogP2.86
Rot. Bonds3

About N-(2,1,3-benzothiadiazol-4-yl)-2-cyclopropylimidazo[1,2-b]pyridazine-6-carboxamide

N-(2,1,3-benzothiadiazol-4-yl)-2-cyclopropylimidazo[1,2-b]pyridazine-6-carboxamide (PubChem CID 155977260) has the molecular formula C16H12N6OS and a molecular weight of 336.38 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-2-cyclopropylimidazo[1,2-b]pyridazine-6-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-2-cyclopropylimidazo[1,2-b]pyridazine-6-carboxamide
PubChem CID155977260
Molecular FormulaC16H12N6OS
Molecular Weight336.38 g/mol
Exact Mass336.08
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-2-cyclopropylimidazo[1,2-b]pyridazine-6-carboxamide
SMILESO=C(Nc1cccc2nsnc12)c1ccc2nc(C3CC3)cn2n1
InChIInChI=1S/C16H12N6OS/c23-16(18-10-2-1-3-11-15(10)21-24-20-11)12-6-7-14-17-13(9-4-5-9)8-22(14)19-12/h1-3,6-9H,4-5H2,(H,18,23)
InChIKeyRQJLRUHDFNSBKY-UHFFFAOYSA-N
XLogP2.86
TPSA85.07 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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide
CID 155941439
2-cyclopropyl-N-pyridin-3-ylimidazo[1,2-b]pyridazine-6-carboxamide
CID 154853972
N-(2,1,3-benzothiadiazol-4-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027765
2-cyclopropyl-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-6-carboxamide
CID 154854074
N-(2,1,3-benzothiadiazol-4-yl)-6-methoxypyridazine-3-carboxamide
CID 90509394
2-cyclopropyl-N-[(2-fluorophenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide
CID 154854059
N-(2-chlorophenyl)-2-methylimidazo[1,2-b]pyridazine-6-carboxamide
CID 155799171
N-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 121050081
2-amino-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 110470032
N-(2,1,3-benzothiadiazol-4-yl)-2-ethylbutanamide
CID 20931137
2-(3-aminoazetidin-1-yl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 65249909
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46681050

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-cyclopropylimidazo[1,2-b]pyridazine-6-carboxamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-cyclopropylimidazo[1,2-b]pyridazine-6-carboxamide (CID 155977260) is N-(2,1,3-benzothiadiazol-4-yl)-2-cyclopropylimidazo[1,2-b]pyridazine-6-carboxamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-2-cyclopropylimidazo[1,2-b]pyridazine-6-carboxamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-2-cyclopropylimidazo[1,2-b]pyridazine-6-carboxamide is O=C(Nc1cccc2nsnc12)c1ccc2nc(C3CC3)cn2n1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-2-cyclopropylimidazo[1,2-b]pyridazine-6-carboxamide?
The InChIKey is RQJLRUHDFNSBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6OS/c23-16(18-10-2-1-3-11-15(10)21-24-20-11)12-6-7-14-17-13(9-4-5-9)8-22(14)19-12/h1-3,6-9H,4-5H2,(H,18,23).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-2-cyclopropylimidazo[1,2-b]pyridazine-6-carboxamide?
N-(2,1,3-benzothiadiazol-4-yl)-2-cyclopropylimidazo[1,2-b]pyridazine-6-carboxamide has a molecular weight of 336.38 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-2-cyclopropylimidazo[1,2-b]pyridazine-6-carboxamide is sourced from PubChem (CID 155977260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).