6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylic acid

C12H14N4O2S — CID 113387337

IUPAC6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylic acid
SMILESCCc1cnc(C(C)Nc2ccc(C(=O)O)nn2)s1
InChIInChI=1S/C12H14N4O2S/c1-3-8-6-13-11(19-8)7(2)14-10-5-4-9(12(17)18)15-16-10/h4-7H,3H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyJSRLJBJSBSLDPQ-UHFFFAOYSA-N
MW278.34 g/mol
LogP2.37
Rot. Bonds5

About 6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylic acid

6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylic acid (PubChem CID 113387337) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylic acid
PubChem CID113387337
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylic acid
SMILESCCc1cnc(C(C)Nc2ccc(C(=O)O)nn2)s1
InChIInChI=1S/C12H14N4O2S/c1-3-8-6-13-11(19-8)7(2)14-10-5-4-9(12(17)18)15-16-10/h4-7H,3H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyJSRLJBJSBSLDPQ-UHFFFAOYSA-N
XLogP2.37
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxamide
CID 133335711
2-bromo-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 107282266
2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107554326
5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 112697226
methyl 5-amino-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylate
CID 114407610
2-bromo-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 114888414
6-(3-methylpentan-2-ylamino)pyridazine-3-carboxylic acid
CID 61464059
6-(4-hydroxybutan-2-ylamino)pyridazine-3-carboxylic acid
CID 83176505
N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 97059499
1-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone
CID 104613096
5-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 115681173
2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-N-methylpyrazine-2,6-diamine
CID 113387591

Frequently Asked Questions

What is the IUPAC name of 6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylic acid (CID 113387337) is 6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylic acid is CCc1cnc(C(C)Nc2ccc(C(=O)O)nn2)s1.
What is the InChIKey of 6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylic acid?
The InChIKey is JSRLJBJSBSLDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-3-8-6-13-11(19-8)7(2)14-10-5-4-9(12(17)18)15-16-10/h4-7H,3H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylic acid?
6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylic acid has a molecular weight of 278.34 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 113387337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).