6-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide

C15H14N6OS — CID 56765925

IUPAC6-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)c1ccc(-n2cccn2)nn1
InChIInChI=1S/C15H14N6OS/c22-14(18-15-17-10-4-1-2-5-12(10)23-15)11-6-7-13(20-19-11)21-9-3-8-16-21/h3,6-9H,1-2,4-5H2,(H,17,18,22)
InChIKeyVYXHQDOKTHNEBU-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.25
Rot. Bonds3

About 6-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide

6-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide (PubChem CID 56765925) has the molecular formula C15H14N6OS and a molecular weight of 326.38 g/mol. Its IUPAC name is 6-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide
PubChem CID56765925
Molecular FormulaC15H14N6OS
Molecular Weight326.38 g/mol
Exact Mass326.09
IUPAC Name6-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)c1ccc(-n2cccn2)nn1
InChIInChI=1S/C15H14N6OS/c22-14(18-15-17-10-4-1-2-5-12(10)23-15)11-6-7-13(20-19-11)21-9-3-8-16-21/h3,6-9H,1-2,4-5H2,(H,17,18,22)
InChIKeyVYXHQDOKTHNEBU-UHFFFAOYSA-N
XLogP2.25
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide (CID 56765925) is 6-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide is O=C(Nc1nc2c(s1)CCCC2)c1ccc(-n2cccn2)nn1.
What is the InChIKey of 6-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide?
The InChIKey is VYXHQDOKTHNEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6OS/c22-14(18-15-17-10-4-1-2-5-12(10)23-15)11-6-7-13(20-19-11)21-9-3-8-16-21/h3,6-9H,1-2,4-5H2,(H,17,18,22).
What are the key properties of 6-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide?
6-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 56765925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).