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

C12H14N4O2S — CID 60629820

IUPAC6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2nc3c(s2)CCCC3)=NN1
InChIInChI=1S/C12H14N4O2S/c17-10-6-5-8(15-16-10)11(18)14-12-13-7-3-1-2-4-9(7)19-12/h1-6H2,(H,16,17)(H,13,14,18)
InChIKeyPJAFJTZSHZOBEA-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.23
Rot. Bonds2

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

6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 60629820) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID60629820
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2nc3c(s2)CCCC3)=NN1
InChIInChI=1S/C12H14N4O2S/c17-10-6-5-8(15-16-10)11(18)14-12-13-7-3-1-2-4-9(7)19-12/h1-6H2,(H,16,17)(H,13,14,18)
InChIKeyPJAFJTZSHZOBEA-UHFFFAOYSA-N
XLogP1.23
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide with MolForge

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Related Compounds

N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 108725665
N-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 58441012
4-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 3715134
4,6-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2-carboxamide
CID 146080268
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 2439718
2-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyridine-4-carboxamide
CID 103763527
5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
CID 107241316
4-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyridine-3-carboxamide
CID 103384975
5-cyano-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 63717460
4-bromo-3-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 81308268
2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 63678785

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 60629820) is 6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)Nc2nc3c(s2)CCCC3)=NN1.
What is the InChIKey of 6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is PJAFJTZSHZOBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c17-10-6-5-8(15-16-10)11(18)14-12-13-7-3-1-2-4-9(7)19-12/h1-6H2,(H,16,17)(H,13,14,18).
What are the key properties of 6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 60629820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).