3-methyl-5-(pyridazine-4-carbonylamino)-1,2-thiazole-4-carboxylic acid

C10H8N4O3S — CID 104669483

IUPAC3-methyl-5-(pyridazine-4-carbonylamino)-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)c2ccnnc2)c1C(=O)O
InChIInChI=1S/C10H8N4O3S/c1-5-7(10(16)17)9(18-14-5)13-8(15)6-2-3-11-12-4-6/h2-4H,1H3,(H,13,15)(H,16,17)
InChIKeyLBISYAQZJKNLMY-UHFFFAOYSA-N
MW264.27 g/mol
LogP1.19
Rot. Bonds3

About 3-methyl-5-(pyridazine-4-carbonylamino)-1,2-thiazole-4-carboxylic acid

3-methyl-5-(pyridazine-4-carbonylamino)-1,2-thiazole-4-carboxylic acid (PubChem CID 104669483) has the molecular formula C10H8N4O3S and a molecular weight of 264.27 g/mol. Its IUPAC name is 3-methyl-5-(pyridazine-4-carbonylamino)-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(pyridazine-4-carbonylamino)-1,2-thiazole-4-carboxylic acid
PubChem CID104669483
Molecular FormulaC10H8N4O3S
Molecular Weight264.27 g/mol
Exact Mass264.03
IUPAC Name3-methyl-5-(pyridazine-4-carbonylamino)-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)c2ccnnc2)c1C(=O)O
InChIInChI=1S/C10H8N4O3S/c1-5-7(10(16)17)9(18-14-5)13-8(15)6-2-3-11-12-4-6/h2-4H,1H3,(H,13,15)(H,16,17)
InChIKeyLBISYAQZJKNLMY-UHFFFAOYSA-N
XLogP1.19
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-dimethyl-2-(pyridazine-4-carbonylamino)thiophene-3-carboxylic acid
CID 104669364
3-methyl-5-[(4-methylbenzoyl)amino]-1,2-thiazole-4-carboxylic acid
CID 60871159
3-methyl-5-[(2-methylpyridine-4-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
CID 106752533
5-[(3,5-dibromobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 107971278
5-[(3-bromobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60868992
3-methyl-5-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
CID 60869010
5-[(3-bromo-4-chlorobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 107997772
5-[(3-amino-4-bromobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 107813189
5-[(4-bromo-3-chlorobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 81290340
5-[(5-chloropyrazine-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 107371456
5-[(2-bromobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60870770
3-methyl-5-[[3-(methylsulfanylmethyl)benzoyl]amino]-1,2-thiazole-4-carboxylic acid
CID 60870323

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(pyridazine-4-carbonylamino)-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-(pyridazine-4-carbonylamino)-1,2-thiazole-4-carboxylic acid (CID 104669483) is 3-methyl-5-(pyridazine-4-carbonylamino)-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(pyridazine-4-carbonylamino)-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-(pyridazine-4-carbonylamino)-1,2-thiazole-4-carboxylic acid is Cc1nsc(NC(=O)c2ccnnc2)c1C(=O)O.
What is the InChIKey of 3-methyl-5-(pyridazine-4-carbonylamino)-1,2-thiazole-4-carboxylic acid?
The InChIKey is LBISYAQZJKNLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O3S/c1-5-7(10(16)17)9(18-14-5)13-8(15)6-2-3-11-12-4-6/h2-4H,1H3,(H,13,15)(H,16,17).
What are the key properties of 3-methyl-5-(pyridazine-4-carbonylamino)-1,2-thiazole-4-carboxylic acid?
3-methyl-5-(pyridazine-4-carbonylamino)-1,2-thiazole-4-carboxylic acid has a molecular weight of 264.27 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(pyridazine-4-carbonylamino)-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 104669483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).