2-[1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid

C11H10N4O4S — CID 66380210

IUPAC2-[1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(NC(=O)c1ccc(=O)[nH]n1)c1nc(C(=O)O)cs1
InChIInChI=1S/C11H10N4O4S/c1-5(10-13-7(4-20-10)11(18)19)12-9(17)6-2-3-8(16)15-14-6/h2-5H,1H3,(H,12,17)(H,15,16)(H,18,19)
InChIKeyHSPMFXYVCRJEKO-UHFFFAOYSA-N
MW294.29 g/mol
LogP0.42
Rot. Bonds4

About 2-[1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid

2-[1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66380210) has the molecular formula C11H10N4O4S and a molecular weight of 294.29 g/mol. Its IUPAC name is 2-[1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66380210
Molecular FormulaC11H10N4O4S
Molecular Weight294.29 g/mol
Exact Mass294.04
IUPAC Name2-[1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(NC(=O)c1ccc(=O)[nH]n1)c1nc(C(=O)O)cs1
InChIInChI=1S/C11H10N4O4S/c1-5(10-13-7(4-20-10)11(18)19)12-9(17)6-2-3-8(16)15-14-6/h2-5H,1H3,(H,12,17)(H,15,16)(H,18,19)
InChIKeyHSPMFXYVCRJEKO-UHFFFAOYSA-N
XLogP0.42
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374400
2-[(1S)-1-[[2-[(1S)-1-aminoethyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid;hydrochloride
CID 16720895
2-[1-(1H-pyrrole-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374402
N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 86975559
2-[1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373640
2-[1-(thiadiazole-5-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66378842
2-[1-(methylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 105442108
N-(1-cyanoethyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 82281497
2-[1-[(5-bromopyridine-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66380991
2-[1-[(3-fluorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66380008
2-[1-[[4-(aminomethyl)benzoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379052
N-[1-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 42893197

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid (CID 66380210) is 2-[1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid is CC(NC(=O)c1ccc(=O)[nH]n1)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is HSPMFXYVCRJEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O4S/c1-5(10-13-7(4-20-10)11(18)19)12-9(17)6-2-3-8(16)15-14-6/h2-5H,1H3,(H,12,17)(H,15,16)(H,18,19).
What are the key properties of 2-[1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
2-[1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 294.29 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66380210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).