ethyl 6-(1,3-thiazol-2-ylcarbamoyl)pyridine-2-carboxylate

C12H11N3O3S — CID 4597131

IUPACethyl 6-(1,3-thiazol-2-ylcarbamoyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(C(=O)Nc2nccs2)n1
InChIInChI=1S/C12H11N3O3S/c1-2-18-11(17)9-5-3-4-8(14-9)10(16)15-12-13-6-7-19-12/h3-7H,2H2,1H3,(H,13,15,16)
InChIKeyDAOOHJDQLUZUDT-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.97
Rot. Bonds4

About ethyl 6-(1,3-thiazol-2-ylcarbamoyl)pyridine-2-carboxylate

ethyl 6-(1,3-thiazol-2-ylcarbamoyl)pyridine-2-carboxylate (PubChem CID 4597131) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is ethyl 6-(1,3-thiazol-2-ylcarbamoyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(1,3-thiazol-2-ylcarbamoyl)pyridine-2-carboxylate
PubChem CID4597131
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Nameethyl 6-(1,3-thiazol-2-ylcarbamoyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(C(=O)Nc2nccs2)n1
InChIInChI=1S/C12H11N3O3S/c1-2-18-11(17)9-5-3-4-8(14-9)10(16)15-12-13-6-7-19-12/h3-7H,2H2,1H3,(H,13,15,16)
InChIKeyDAOOHJDQLUZUDT-UHFFFAOYSA-N
XLogP1.97
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[[4-(3,4-Difluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 4880900
2,2-Dimethyl-propionic acid 2-(thiazol-2-ylcarbamoyl)-pyridin-3-yl ester
CID 10892092
3-Methyl-but-2-enoic acid 2-(thiazol-2-ylcarbamoyl)-pyridin-3-yl ester
CID 10968681
Propionic acid 2-(thiazol-2-ylcarbamoyl)-pyridin-3-yl ester
CID 11087059
2-Methyl-but-2-enoic acid 2-(thiazol-2-ylcarbamoyl)-pyridin-3-yl ester
CID 11098704
Acetic acid 2-(thiazol-2-ylcarbamoyl)-pyridin-3-yl ester
CID 11043604
3-Methoxy-pyridine-2-carboxylic acid thiazol-2-ylamide
CID 44391634
6-Hydroxymethyl-pyridine-2-carboxylic acid thiazol-2-ylamide
CID 44391680
Pyridine-2-carboxylic acid thiazol-2-ylcarbamoylmethyl ester
CID 652523
Pyridine-2-carboxylic acid (4-phenyl-thiazol-2-ylcarbamoyl)-methyl ester
CID 3155677
Hexanoic acid 2-(thiazol-2-ylcarbamoyl)-pyridin-3-yl ester
CID 11023604
6-(Thiazol-2-ylcarbamoyl)-pyridine-2-carboxylic acid
CID 43558260

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(1,3-thiazol-2-ylcarbamoyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 6-(1,3-thiazol-2-ylcarbamoyl)pyridine-2-carboxylate (CID 4597131) is ethyl 6-(1,3-thiazol-2-ylcarbamoyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(1,3-thiazol-2-ylcarbamoyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(1,3-thiazol-2-ylcarbamoyl)pyridine-2-carboxylate is CCOC(=O)c1cccc(C(=O)Nc2nccs2)n1.
What is the InChIKey of ethyl 6-(1,3-thiazol-2-ylcarbamoyl)pyridine-2-carboxylate?
The InChIKey is DAOOHJDQLUZUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c1-2-18-11(17)9-5-3-4-8(14-9)10(16)15-12-13-6-7-19-12/h3-7H,2H2,1H3,(H,13,15,16).
What are the key properties of ethyl 6-(1,3-thiazol-2-ylcarbamoyl)pyridine-2-carboxylate?
ethyl 6-(1,3-thiazol-2-ylcarbamoyl)pyridine-2-carboxylate has a molecular weight of 277.31 g/mol, XLogP of 1.97, 4 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-2-ylcarbamoyl)pyridine-2-carboxylate is sourced from PubChem (CID 4597131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).