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

C13H9ClN4OS — CID 61042126

IUPAC6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridazine-3-carboxamide
SMILESCc1nc2ccc(NC(=O)c3ccc(Cl)nn3)cc2s1
InChIInChI=1S/C13H9ClN4OS/c1-7-15-9-3-2-8(6-11(9)20-7)16-13(19)10-4-5-12(14)18-17-10/h2-6H,1H3,(H,16,19)
InChIKeyRICFCRMTCMJNCS-UHFFFAOYSA-N
MW304.76 g/mol
LogP3.30
Rot. Bonds2

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

6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridazine-3-carboxamide (PubChem CID 61042126) has the molecular formula C13H9ClN4OS and a molecular weight of 304.76 g/mol. Its IUPAC name is 6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridazine-3-carboxamide
PubChem CID61042126
Molecular FormulaC13H9ClN4OS
Molecular Weight304.76 g/mol
Exact Mass304.02
IUPAC Name6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridazine-3-carboxamide
SMILESCc1nc2ccc(NC(=O)c3ccc(Cl)nn3)cc2s1
InChIInChI=1S/C13H9ClN4OS/c1-7-15-9-3-2-8(6-11(9)20-7)16-13(19)10-4-5-12(14)18-17-10/h2-6H,1H3,(H,16,19)
InChIKeyRICFCRMTCMJNCS-UHFFFAOYSA-N
XLogP3.30
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 7915285
6-chloro-N-(3,4-dichlorophenyl)pyridazine-3-carboxamide
CID 54926951
2-chloro-4,5-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 847893
5-acetyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 18089639
2-chloro-6-fluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 2086523
5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 4800129
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 3386636
2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60651842
N-(4-acetamidophenyl)-6-chloropyridazine-3-carboxamide
CID 60859038
2,3,4-trifluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 30152613
2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 43702545
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31529238

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridazine-3-carboxamide (CID 61042126) is 6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridazine-3-carboxamide is Cc1nc2ccc(NC(=O)c3ccc(Cl)nn3)cc2s1.
What is the InChIKey of 6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridazine-3-carboxamide?
The InChIKey is RICFCRMTCMJNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4OS/c1-7-15-9-3-2-8(6-11(9)20-7)16-13(19)10-4-5-12(14)18-17-10/h2-6H,1H3,(H,16,19).
What are the key properties of 6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridazine-3-carboxamide?
6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridazine-3-carboxamide has a molecular weight of 304.76 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 61042126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).