N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide

C12H14N4O2S — CID 86975559

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)c2ccc(=O)[nH]n2)n1
InChIInChI=1S/C12H14N4O2S/c1-12(2,3)8-6-19-11(13-8)14-10(18)7-4-5-9(17)16-15-7/h4-6H,1-3H3,(H,16,17)(H,13,14,18)
InChIKeyDFOZGDTXHSDHEU-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.78
Rot. Bonds2

About N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 86975559) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID86975559
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)c2ccc(=O)[nH]n2)n1
InChIInChI=1S/C12H14N4O2S/c1-12(2,3)8-6-19-11(13-8)14-10(18)7-4-5-9(17)16-15-7/h4-6H,1-3H3,(H,16,17)(H,13,14,18)
InChIKeyDFOZGDTXHSDHEU-UHFFFAOYSA-N
XLogP1.78
TPSA87.74 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 ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-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-tert-butyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 17394808
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 35875919
5-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 81316674
2-[1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66380210
N-(4-tert-butyl-1,3-thiazol-2-yl)-6-fluoropyridine-2-carboxamide
CID 113323542
5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 60725123
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-carbamothioylpyridine-2-carboxamide
CID 63749555
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
CID 807675
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide
CID 62237194
N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxybenzamide
CID 103956653
4-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 54960547
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 110467861

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide (CID 86975559) is N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide is CC(C)(C)c1csc(NC(=O)c2ccc(=O)[nH]n2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is DFOZGDTXHSDHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-12(2,3)8-6-19-11(13-8)14-10(18)7-4-5-9(17)16-15-7/h4-6H,1-3H3,(H,16,17)(H,13,14,18).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 86975559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).