methyl 5-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carboxylate

C11H12N4O2S — CID 114408077

IUPACmethyl 5-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(NCc2cncs2)n1
InChIInChI=1S/C11H12N4O2S/c1-17-11(16)9-3-2-8(12)10(15-9)14-5-7-4-13-6-18-7/h2-4,6H,5,12H2,1H3,(H,14,15)
InChIKeyHAXUQNCTZMJDKF-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.52
Rot. Bonds4

About methyl 5-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carboxylate

methyl 5-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carboxylate (PubChem CID 114408077) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is methyl 5-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carboxylate
PubChem CID114408077
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Namemethyl 5-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(NCc2cncs2)n1
InChIInChI=1S/C11H12N4O2S/c1-17-11(16)9-3-2-8(12)10(15-9)14-5-7-4-13-6-18-7/h2-4,6H,5,12H2,1H3,(H,14,15)
InChIKeyHAXUQNCTZMJDKF-UHFFFAOYSA-N
XLogP1.52
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-amino-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate
CID 106014430
methyl 6-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carboxylate
CID 104577442
methyl 5-amino-6-(3-methylsulfanylpropylamino)pyridine-2-carboxylate
CID 114406704
methyl 5-amino-6-(2,2,3,3-tetrafluoropropylamino)pyridine-2-carboxylate
CID 114169838
methyl 5-amino-6-(4-methylsulfanylbutylamino)pyridine-2-carboxylate
CID 114407989
methyl 5-amino-6-[[3-oxo-3-(propylamino)propyl]amino]pyridine-2-carboxylate
CID 114406226
methyl 5-amino-6-iodopyridine-2-carboxylate
CID 53485922
methyl 5-amino-6-(pyridin-3-ylamino)pyridine-2-carboxylate
CID 114404958
methyl 5-amino-6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carboxylate
CID 114405863
methyl 5-amino-6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-2-carboxylate
CID 114406962
methyl 5-amino-6-[(2-methylcyclopentyl)methylamino]pyridine-2-carboxylate
CID 107420380
methyl 5-amino-6-[(5-methyl-3-pyridinyl)amino]pyridine-2-carboxylate
CID 107586488

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carboxylate (CID 114408077) is methyl 5-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carboxylate is COC(=O)c1ccc(N)c(NCc2cncs2)n1.
What is the InChIKey of methyl 5-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carboxylate?
The InChIKey is HAXUQNCTZMJDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-17-11(16)9-3-2-8(12)10(15-9)14-5-7-4-13-6-18-7/h2-4,6H,5,12H2,1H3,(H,14,15).
What are the key properties of methyl 5-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carboxylate?
methyl 5-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carboxylate has a molecular weight of 264.31 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carboxylate is sourced from PubChem (CID 114408077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).