methyl 6-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]pyridine-3-carboxylate

C12H14N4O2S — CID 125423816

IUPACmethyl 6-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]pyridine-3-carboxylate
SMILESCCc1nsc(NCc2ccc(C(=O)OC)cn2)n1
InChIInChI=1S/C12H14N4O2S/c1-3-10-15-12(19-16-10)14-7-9-5-4-8(6-13-9)11(17)18-2/h4-6H,3,7H2,1-2H3,(H,14,15,16)
InChIKeyGQGUSSXZPXYGIM-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.89
Rot. Bonds5

About methyl 6-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]pyridine-3-carboxylate

methyl 6-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]pyridine-3-carboxylate (PubChem CID 125423816) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is methyl 6-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]pyridine-3-carboxylate
PubChem CID125423816
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Namemethyl 6-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]pyridine-3-carboxylate
SMILESCCc1nsc(NCc2ccc(C(=O)OC)cn2)n1
InChIInChI=1S/C12H14N4O2S/c1-3-10-15-12(19-16-10)14-7-9-5-4-8(6-13-9)11(17)18-2/h4-6H,3,7H2,1-2H3,(H,14,15,16)
InChIKeyGQGUSSXZPXYGIM-UHFFFAOYSA-N
XLogP1.89
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 6-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 6-(chloromethyl)pyridine-3-carboxylate
CID 15331516
ethane;methyl 6-(bromomethyl)pyridine-3-carboxylate
CID 142289362
methyl 6-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]pyridine-3-carboxylate
CID 115359742
methyl 6-[(2-methylprop-2-enylamino)methyl]pyridine-3-carboxylate
CID 114616881
methyl 6-[(2-methylpropoxyamino)methyl]pyridine-3-carboxylate
CID 82715949
methyl 6-[(2-chloro-5-methylanilino)methyl]pyridine-3-carboxylate
CID 107634700
methyl 6-[(3-fluoroanilino)methyl]pyridine-3-carboxylate;molecular hydrogen
CID 145238567
methyl 6-[(2-chloro-5-fluoroanilino)methyl]pyridine-3-carboxylate
CID 107528321
methyl 6-[(2-bromo-4-chloroanilino)methyl]pyridine-3-carboxylate
CID 81270988
methyl 6-[(3-ethylsulfanylpropylamino)methyl]pyridine-3-carboxylate
CID 114248126
methyl 6-(acetyloxymethyl)pyridine-3-carboxylate
CID 10353032
4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenol
CID 115680838

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]pyridine-3-carboxylate (CID 125423816) is methyl 6-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]pyridine-3-carboxylate is CCc1nsc(NCc2ccc(C(=O)OC)cn2)n1.
What is the InChIKey of methyl 6-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]pyridine-3-carboxylate?
The InChIKey is GQGUSSXZPXYGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-3-10-15-12(19-16-10)14-7-9-5-4-8(6-13-9)11(17)18-2/h4-6H,3,7H2,1-2H3,(H,14,15,16).
What are the key properties of methyl 6-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]pyridine-3-carboxylate?
methyl 6-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]pyridine-3-carboxylate has a molecular weight of 278.34 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 125423816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).