ethyl 6-(1,3-thiazol-5-ylmethylamino)pyridine-3-carboxylate

C12H13N3O2S — CID 104577452

IUPACethyl 6-(1,3-thiazol-5-ylmethylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCc2cncs2)nc1
InChIInChI=1S/C12H13N3O2S/c1-2-17-12(16)9-3-4-11(14-5-9)15-7-10-6-13-8-18-10/h3-6,8H,2,7H2,1H3,(H,14,15)
InChIKeyJTQKHNDCVDLINT-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.33
Rot. Bonds5

About ethyl 6-(1,3-thiazol-5-ylmethylamino)pyridine-3-carboxylate

ethyl 6-(1,3-thiazol-5-ylmethylamino)pyridine-3-carboxylate (PubChem CID 104577452) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is ethyl 6-(1,3-thiazol-5-ylmethylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(1,3-thiazol-5-ylmethylamino)pyridine-3-carboxylate
PubChem CID104577452
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Nameethyl 6-(1,3-thiazol-5-ylmethylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCc2cncs2)nc1
InChIInChI=1S/C12H13N3O2S/c1-2-17-12(16)9-3-4-11(14-5-9)15-7-10-6-13-8-18-10/h3-6,8H,2,7H2,1H3,(H,14,15)
InChIKeyJTQKHNDCVDLINT-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 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
CID 61166664
ethyl 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-3-carboxylate
CID 106400737
ethyl 6-(1,2-oxazol-3-ylmethylamino)pyridine-3-carboxylate
CID 79492611
ethyl 2-(1,3-thiazol-5-ylmethylamino)benzoate
CID 55109855
ethyl 6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridine-3-carboxylate
CID 133440185
ethyl 6-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43243884
ethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate
CID 43532828
propyl 4-(1,3-thiazol-5-ylmethylamino)benzoate
CID 62760898
1-[[(5-ethoxycarbonyl-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450434
ethyl 6-[(5-amino-1H-pyrazol-4-yl)methylamino]pyridine-3-carboxylate
CID 79530640
ethyl 6-(2-methylbutylamino)pyridine-3-carboxylate
CID 55108410
ethyl 6-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylate
CID 62048016

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(1,3-thiazol-5-ylmethylamino)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(1,3-thiazol-5-ylmethylamino)pyridine-3-carboxylate (CID 104577452) is ethyl 6-(1,3-thiazol-5-ylmethylamino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(1,3-thiazol-5-ylmethylamino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(1,3-thiazol-5-ylmethylamino)pyridine-3-carboxylate is CCOC(=O)c1ccc(NCc2cncs2)nc1.
What is the InChIKey of ethyl 6-(1,3-thiazol-5-ylmethylamino)pyridine-3-carboxylate?
The InChIKey is JTQKHNDCVDLINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-2-17-12(16)9-3-4-11(14-5-9)15-7-10-6-13-8-18-10/h3-6,8H,2,7H2,1H3,(H,14,15).
What are the key properties of ethyl 6-(1,3-thiazol-5-ylmethylamino)pyridine-3-carboxylate?
ethyl 6-(1,3-thiazol-5-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 6-(1,3-thiazol-5-ylmethylamino)pyridine-3-carboxylate is sourced from PubChem (CID 104577452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).