3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid

C10H10N4O2S — CID 80516783

IUPAC3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid
SMILESCC(Nc1nnccc1C(=O)O)c1nccs1
InChIInChI=1S/C10H10N4O2S/c1-6(9-11-4-5-17-9)13-8-7(10(15)16)2-3-12-14-8/h2-6H,1H3,(H,13,14)(H,15,16)
InChIKeyNBDXRNCJIKJRJS-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.80
Rot. Bonds4

About 3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid

3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid (PubChem CID 80516783) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid
PubChem CID80516783
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid
SMILESCC(Nc1nnccc1C(=O)O)c1nccs1
InChIInChI=1S/C10H10N4O2S/c1-6(9-11-4-5-17-9)13-8-7(10(15)16)2-3-12-14-8/h2-6H,1H3,(H,13,14)(H,15,16)
InChIKeyNBDXRNCJIKJRJS-UHFFFAOYSA-N
XLogP1.80
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-[1-(1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid
CID 114214454
2-fluoro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 64993384
5-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 115490965
5-[1-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid
CID 64629293
3-(3-methylpentan-2-ylamino)pyridazine-4-carboxylic acid
CID 80517927
3-[1-(3-fluorophenyl)ethylamino]pyridazine-4-carboxylic acid
CID 80517463
N-[4-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide
CID 64988274
2-[2-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide
CID 64993085
3-methoxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 115923076
methyl 2-chloro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoate
CID 64993310
N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
CID 63612751
2-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 144903789

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid?
The IUPAC name of 3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid (CID 80516783) is 3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid?
The canonical SMILES for 3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid is CC(Nc1nnccc1C(=O)O)c1nccs1.
What is the InChIKey of 3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid?
The InChIKey is NBDXRNCJIKJRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-6(9-11-4-5-17-9)13-8-7(10(15)16)2-3-12-14-8/h2-6H,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid?
3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid has a molecular weight of 250.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid is sourced from PubChem (CID 80516783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).