ethyl 2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylate

C12H13N3O2S — CID 63831190

IUPACethyl 2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCc1cscn1
InChIInChI=1S/C12H13N3O2S/c1-2-17-12(16)10-4-3-5-13-11(10)14-6-9-7-18-8-15-9/h3-5,7-8H,2,6H2,1H3,(H,13,14)
InChIKeyYOGDWCBOEDKUKP-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.33
Rot. Bonds5

About ethyl 2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylate

ethyl 2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylate (PubChem CID 63831190) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is ethyl 2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylate
PubChem CID63831190
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Nameethyl 2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCc1cscn1
InChIInChI=1S/C12H13N3O2S/c1-2-17-12(16)10-4-3-5-13-11(10)14-6-9-7-18-8-15-9/h3-5,7-8H,2,6H2,1H3,(H,13,14)
InChIKeyYOGDWCBOEDKUKP-UHFFFAOYSA-N
XLogP2.33
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carboxylate
CID 82874044
ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxylate
CID 106382203
ethyl 2-[(5-bromothiophen-2-yl)methylamino]pyridine-3-carboxylate
CID 54900601
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
ethyl 2-(2,2-difluoroethylamino)pyridine-3-carboxylate
CID 115407605
ethyl 2-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43310600
ethyl 2-(1,3-thiazol-4-yl)pyridine-3-carboxylate
CID 146331533
ethyl 2-[[(E)-4-aminobut-2-enyl]amino]pyridine-3-carboxylate
CID 113414922
ethyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 104695551
ethyl 2-(2-methylsulfinylethylamino)pyridine-3-carboxylate
CID 104695493
4-[(3-ethoxycarbonyl-2-pyridinyl)amino]butanoic acid
CID 24708096

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylate (CID 63831190) is ethyl 2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylate is CCOC(=O)c1cccnc1NCc1cscn1.
What is the InChIKey of ethyl 2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylate?
The InChIKey is YOGDWCBOEDKUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-2-17-12(16)10-4-3-5-13-11(10)14-6-9-7-18-8-15-9/h3-5,7-8H,2,6H2,1H3,(H,13,14).
What are the key properties of ethyl 2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylate?
ethyl 2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylate has a molecular weight of 263.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylate is sourced from PubChem (CID 63831190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).