5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid

C12H14N4O2S — CID 63245456

IUPAC5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid
SMILESCc1nnc(NCCc2nccs2)c(C(=O)O)c1C
InChIInChI=1S/C12H14N4O2S/c1-7-8(2)15-16-11(10(7)12(17)18)14-4-3-9-13-5-6-19-9/h5-6H,3-4H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyPEIVPXFLUUKZTI-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.90
Rot. Bonds5

About 5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid

5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid (PubChem CID 63245456) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid
PubChem CID63245456
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid
SMILESCc1nnc(NCCc2nccs2)c(C(=O)O)c1C
InChIInChI=1S/C12H14N4O2S/c1-7-8(2)15-16-11(10(7)12(17)18)14-4-3-9-13-5-6-19-9/h5-6H,3-4H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyPEIVPXFLUUKZTI-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid
CID 106423241
5,6-dimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridazine-4-carboxylic acid
CID 106377656
5,6-dimethyl-3-(prop-2-ynylamino)pyridazine-4-carboxylic acid
CID 62709795
2,2-dimethyl-3-oxo-3-[2-(1,3-thiazol-2-yl)ethylamino]propanoic acid
CID 82820922
2-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carboxylic acid
CID 55219063
3-amino-5-[2-(1,3-thiazol-2-yl)ethylamino]-1,2-thiazole-4-carboxamide
CID 103380154
6-chloro-2-ethyl-5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 79555714
5,6-dimethyl-3-[(3-methylphenyl)methylamino]pyridazine-4-carboxylic acid
CID 62709618
2-ethyl-6-hydrazinyl-5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 81007235
2-fluoro-5-[2-(1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 82539161
5-methyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2,3-diamine
CID 66278017
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid
CID 106377678

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid?
The IUPAC name of 5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid (CID 63245456) is 5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid.
What is the SMILES notation for 5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid?
The canonical SMILES for 5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid is Cc1nnc(NCCc2nccs2)c(C(=O)O)c1C.
What is the InChIKey of 5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid?
The InChIKey is PEIVPXFLUUKZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-7-8(2)15-16-11(10(7)12(17)18)14-4-3-9-13-5-6-19-9/h5-6H,3-4H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid?
5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid has a molecular weight of 278.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid is sourced from PubChem (CID 63245456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).