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

C9H8N4O2S — CID 7585559

IUPACN-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1csc(NC(=O)c2ccc(=O)[nH]n2)n1
InChIInChI=1S/C9H8N4O2S/c1-5-4-16-9(10-5)11-8(15)6-2-3-7(14)13-12-6/h2-4H,1H3,(H,13,14)(H,10,11,15)
InChIKeyNOCZPTXYMZHCNQ-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.79
Rot. Bonds2

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

N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 7585559) has the molecular formula C9H8N4O2S and a molecular weight of 236.26 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID7585559
Molecular FormulaC9H8N4O2S
Molecular Weight236.26 g/mol
Exact Mass236.04
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1csc(NC(=O)c2ccc(=O)[nH]n2)n1
InChIInChI=1S/C9H8N4O2S/c1-5-4-16-9(10-5)11-8(15)6-2-3-7(14)13-12-6/h2-4H,1H3,(H,13,14)(H,10,11,15)
InChIKeyNOCZPTXYMZHCNQ-UHFFFAOYSA-N
XLogP0.79
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide (CID 7585559) is N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide is Cc1csc(NC(=O)c2ccc(=O)[nH]n2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is NOCZPTXYMZHCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2S/c1-5-4-16-9(10-5)11-8(15)6-2-3-7(14)13-12-6/h2-4H,1H3,(H,13,14)(H,10,11,15).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 236.26 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 7585559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).