ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxylate

C12H13N3O3S — CID 106382203

IUPACethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCc1csc(=O)[nH]1
InChIInChI=1S/C12H13N3O3S/c1-2-18-11(16)9-4-3-5-13-10(9)14-6-8-7-19-12(17)15-8/h3-5,7H,2,6H2,1H3,(H,13,14)(H,15,17)
InChIKeyOZAZMZKVZUPASN-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.62
Rot. Bonds5

About ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxylate

ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxylate (PubChem CID 106382203) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxylate
PubChem CID106382203
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Nameethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCc1csc(=O)[nH]1
InChIInChI=1S/C12H13N3O3S/c1-2-18-11(16)9-4-3-5-13-10(9)14-6-8-7-19-12(17)15-8/h3-5,7H,2,6H2,1H3,(H,13,14)(H,15,17)
InChIKeyOZAZMZKVZUPASN-UHFFFAOYSA-N
XLogP1.62
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(3-ethoxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382213
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 106383409
ethyl 2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylate
CID 63831190
ethyl 2-[(5-bromothiophen-2-yl)methylamino]pyridine-3-carboxylate
CID 54900601
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757
ethyl 2-(2-methylsulfinylethylamino)pyridine-3-carboxylate
CID 104695493
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
ethyl 2-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43310600
ethyl 2-(2,2-difluoroethylamino)pyridine-3-carboxylate
CID 115407605
ethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate
CID 79106249
ethyl 2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carboxylate
CID 82874044
ethyl 2-[[(E)-4-aminobut-2-enyl]amino]pyridine-3-carboxylate
CID 113414922

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxylate (CID 106382203) is ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxylate is CCOC(=O)c1cccnc1NCc1csc(=O)[nH]1.
What is the InChIKey of ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxylate?
The InChIKey is OZAZMZKVZUPASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-2-18-11(16)9-4-3-5-13-10(9)14-6-8-7-19-12(17)15-8/h3-5,7H,2,6H2,1H3,(H,13,14)(H,15,17).
What are the key properties of ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxylate?
ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxylate has a molecular weight of 279.32 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 106382203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).