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

C12H12N4O2S — CID 74659824

IUPAC6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3H-pyridazine-3-carboxamide
SMILESO=C1C=CC(C(=O)Nc2nc3c(s2)CCCC3)N=N1
InChIInChI=1S/C12H12N4O2S/c17-10-6-5-8(15-16-10)11(18)14-12-13-7-3-1-2-4-9(7)19-12/h5-6,8H,1-4H2,(H,13,14,18)
InChIKeyWQWLNUBYQBWKJF-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.88
Rot. Bonds2

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

6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3H-pyridazine-3-carboxamide (PubChem CID 74659824) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3H-pyridazine-3-carboxamide
PubChem CID74659824
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Name6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3H-pyridazine-3-carboxamide
SMILESO=C1C=CC(C(=O)Nc2nc3c(s2)CCCC3)N=N1
InChIInChI=1S/C12H12N4O2S/c17-10-6-5-8(15-16-10)11(18)14-12-13-7-3-1-2-4-9(7)19-12/h5-6,8H,1-4H2,(H,13,14,18)
InChIKeyWQWLNUBYQBWKJF-UHFFFAOYSA-N
XLogP1.88
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
cis-(1S,2R)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 94226301
2-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 114996558
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 847062
(1R,2R,4R)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 46972913
(2R,5S)-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102945089
3-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)cyclopentane-1-carboxamide
CID 119743805
2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 63678785
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095264
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-hexahydrocycloocta[d][1,3]thiazol-2-yl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide
CID 46972912
(1R,2S,4S)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide
CID 124782772

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3H-pyridazine-3-carboxamide (CID 74659824) is 6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3H-pyridazine-3-carboxamide is O=C1C=CC(C(=O)Nc2nc3c(s2)CCCC3)N=N1.
What is the InChIKey of 6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3H-pyridazine-3-carboxamide?
The InChIKey is WQWLNUBYQBWKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c17-10-6-5-8(15-16-10)11(18)14-12-13-7-3-1-2-4-9(7)19-12/h5-6,8H,1-4H2,(H,13,14,18).
What are the key properties of 6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3H-pyridazine-3-carboxamide?
6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3H-pyridazine-3-carboxamide has a molecular weight of 276.32 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 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)-3H-pyridazine-3-carboxamide is sourced from PubChem (CID 74659824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).