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

C13H14N4O2S — CID 43020275

IUPACN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC1CCc2nc(NC(=O)c3ccc(=O)[nH]n3)sc2C1
InChIInChI=1S/C13H14N4O2S/c1-7-2-3-8-10(6-7)20-13(14-8)15-12(19)9-4-5-11(18)17-16-9/h4-5,7H,2-3,6H2,1H3,(H,17,18)(H,14,15,19)
InChIKeyBUWKZCKFHBGOJS-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.60
Rot. Bonds2

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

N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 43020275) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID43020275
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC NameN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC1CCc2nc(NC(=O)c3ccc(=O)[nH]n3)sc2C1
InChIInChI=1S/C13H14N4O2S/c1-7-2-3-8-10(6-7)20-13(14-8)15-12(19)9-4-5-11(18)17-16-9/h4-5,7H,2-3,6H2,1H3,(H,17,18)(H,14,15,19)
InChIKeyBUWKZCKFHBGOJS-UHFFFAOYSA-N
XLogP1.60
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide (CID 43020275) is N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide is CC1CCc2nc(NC(=O)c3ccc(=O)[nH]n3)sc2C1.
What is the InChIKey of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is BUWKZCKFHBGOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-7-2-3-8-10(6-7)20-13(14-8)15-12(19)9-4-5-11(18)17-16-9/h4-5,7H,2-3,6H2,1H3,(H,17,18)(H,14,15,19).
What are the key properties of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 290.35 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 43020275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).