6-amino-N-(1,3-benzothiazol-6-yl)pyridazine-3-carboxamide

C12H9N5OS — CID 107801365

IUPAC6-amino-N-(1,3-benzothiazol-6-yl)pyridazine-3-carboxamide
SMILESNc1ccc(C(=O)Nc2ccc3ncsc3c2)nn1
InChIInChI=1S/C12H9N5OS/c13-11-4-3-9(16-17-11)12(18)15-7-1-2-8-10(5-7)19-6-14-8/h1-6H,(H2,13,17)(H,15,18)
InChIKeyMCIGFUBVMHZZOM-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.92
Rot. Bonds2

About 6-amino-N-(1,3-benzothiazol-6-yl)pyridazine-3-carboxamide

6-amino-N-(1,3-benzothiazol-6-yl)pyridazine-3-carboxamide (PubChem CID 107801365) has the molecular formula C12H9N5OS and a molecular weight of 271.31 g/mol. Its IUPAC name is 6-amino-N-(1,3-benzothiazol-6-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(1,3-benzothiazol-6-yl)pyridazine-3-carboxamide
PubChem CID107801365
Molecular FormulaC12H9N5OS
Molecular Weight271.31 g/mol
Exact Mass271.05
IUPAC Name6-amino-N-(1,3-benzothiazol-6-yl)pyridazine-3-carboxamide
SMILESNc1ccc(C(=O)Nc2ccc3ncsc3c2)nn1
InChIInChI=1S/C12H9N5OS/c13-11-4-3-9(16-17-11)12(18)15-7-1-2-8-10(5-7)19-6-14-8/h1-6H,(H2,13,17)(H,15,18)
InChIKeyMCIGFUBVMHZZOM-UHFFFAOYSA-N
XLogP1.92
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-6-yl)-5-(methylamino)pyridine-2-carboxamide
CID 107801394
4-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxybenzamide
CID 107802439
N-(1,3-benzothiazol-6-yl)-3,5-dihydroxybenzamide
CID 104938868
N-(1,3-benzothiazol-6-yl)-5-chlorofuran-2-carboxamide
CID 113223158
2-(1-aminoethyl)-N-(1,3-benzothiazol-6-yl)-1,3-thiazole-4-carboxamide
CID 107805126
N-(1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 2337792
3-amino-N-(1,3-benzothiazol-6-yl)-2-methylbenzamide
CID 107802503
2-amino-N-(1,3-benzothiazol-6-yl)-3-methylbenzamide
CID 107802478
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 83634070
5-amino-N-(1,3-benzothiazol-6-yl)-2-fluoro-3-methylbenzamide
CID 107802448
6-amino-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 62155228
2-amino-N-(1,3-benzothiazol-6-yl)-6-methoxybenzamide
CID 107802446

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1,3-benzothiazol-6-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-amino-N-(1,3-benzothiazol-6-yl)pyridazine-3-carboxamide (CID 107801365) is 6-amino-N-(1,3-benzothiazol-6-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-amino-N-(1,3-benzothiazol-6-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-amino-N-(1,3-benzothiazol-6-yl)pyridazine-3-carboxamide is Nc1ccc(C(=O)Nc2ccc3ncsc3c2)nn1.
What is the InChIKey of 6-amino-N-(1,3-benzothiazol-6-yl)pyridazine-3-carboxamide?
The InChIKey is MCIGFUBVMHZZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5OS/c13-11-4-3-9(16-17-11)12(18)15-7-1-2-8-10(5-7)19-6-14-8/h1-6H,(H2,13,17)(H,15,18).
What are the key properties of 6-amino-N-(1,3-benzothiazol-6-yl)pyridazine-3-carboxamide?
6-amino-N-(1,3-benzothiazol-6-yl)pyridazine-3-carboxamide has a molecular weight of 271.31 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1,3-benzothiazol-6-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 107801365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).