ethyl 5-[(3-methoxy-1,2-thiazol-5-yl)methylamino]pyridine-2-carboxylate

C13H15N3O3S — CID 154845831

IUPACethyl 5-[(3-methoxy-1,2-thiazol-5-yl)methylamino]pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(NCc2cc(OC)ns2)cn1
InChIInChI=1S/C13H15N3O3S/c1-3-19-13(17)11-5-4-9(7-15-11)14-8-10-6-12(18-2)16-20-10/h4-7,14H,3,8H2,1-2H3
InChIKeyLKDGDYPFHLVBHZ-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.34
Rot. Bonds6

About ethyl 5-[(3-methoxy-1,2-thiazol-5-yl)methylamino]pyridine-2-carboxylate

ethyl 5-[(3-methoxy-1,2-thiazol-5-yl)methylamino]pyridine-2-carboxylate (PubChem CID 154845831) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is ethyl 5-[(3-methoxy-1,2-thiazol-5-yl)methylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(3-methoxy-1,2-thiazol-5-yl)methylamino]pyridine-2-carboxylate
PubChem CID154845831
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Nameethyl 5-[(3-methoxy-1,2-thiazol-5-yl)methylamino]pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(NCc2cc(OC)ns2)cn1
InChIInChI=1S/C13H15N3O3S/c1-3-19-13(17)11-5-4-9(7-15-11)14-8-10-6-12(18-2)16-20-10/h4-7,14H,3,8H2,1-2H3
InChIKeyLKDGDYPFHLVBHZ-UHFFFAOYSA-N
XLogP2.34
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-(4-methylanilino)pyridine-2-carboxylate
CID 155674301
trans-(1R,2R)-2-[4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]phenyl]cyclopropane-1-carboxylic acid
CID 166253526
2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate
CID 152564133
ethyl 5-fluoropyridine-2-carboxylate
CID 10986675
ethyl 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate
CID 78919756
ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-2-carbonyl]amino]benzoate
CID 109187796
5-[(2-methoxy-4-pyridinyl)methylamino]pyridine-2-carboxylic acid
CID 113321615
ethyl 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylbenzoate
CID 168580385
2-chloro-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]acetamide
CID 166405804
ethyl 5-methylsulfanylpyridine-2-carboxylate
CID 58540699
ethyl 5-methoxyisoquinoline-3-carboxylate
CID 131699571
5-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide
CID 104641230

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(3-methoxy-1,2-thiazol-5-yl)methylamino]pyridine-2-carboxylate?
The IUPAC name of ethyl 5-[(3-methoxy-1,2-thiazol-5-yl)methylamino]pyridine-2-carboxylate (CID 154845831) is ethyl 5-[(3-methoxy-1,2-thiazol-5-yl)methylamino]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-[(3-methoxy-1,2-thiazol-5-yl)methylamino]pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-[(3-methoxy-1,2-thiazol-5-yl)methylamino]pyridine-2-carboxylate is CCOC(=O)c1ccc(NCc2cc(OC)ns2)cn1.
What is the InChIKey of ethyl 5-[(3-methoxy-1,2-thiazol-5-yl)methylamino]pyridine-2-carboxylate?
The InChIKey is LKDGDYPFHLVBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-3-19-13(17)11-5-4-9(7-15-11)14-8-10-6-12(18-2)16-20-10/h4-7,14H,3,8H2,1-2H3.
What are the key properties of ethyl 5-[(3-methoxy-1,2-thiazol-5-yl)methylamino]pyridine-2-carboxylate?
ethyl 5-[(3-methoxy-1,2-thiazol-5-yl)methylamino]pyridine-2-carboxylate has a molecular weight of 293.35 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(3-methoxy-1,2-thiazol-5-yl)methylamino]pyridine-2-carboxylate is sourced from PubChem (CID 154845831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).