ethyl 2-[2-(pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate

C13H13N3O3S — CID 16619079

IUPACethyl 2-[2-(pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccccn2)n1
InChIInChI=1S/C13H13N3O3S/c1-2-19-11(17)7-9-8-20-13(15-9)16-12(18)10-5-3-4-6-14-10/h3-6,8H,2,7H2,1H3,(H,15,16,18)
InChIKeyUMHXJEJQKVEFSG-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.90
Rot. Bonds5

About ethyl 2-[2-(pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 16619079) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is ethyl 2-[2-(pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate
PubChem CID16619079
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Nameethyl 2-[2-(pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccccn2)n1
InChIInChI=1S/C13H13N3O3S/c1-2-19-11(17)7-9-8-20-13(15-9)16-12(18)10-5-3-4-6-14-10/h3-6,8H,2,7H2,1H3,(H,15,16,18)
InChIKeyUMHXJEJQKVEFSG-UHFFFAOYSA-N
XLogP1.90
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-((2,2-Dimethylpropanoyl)amino)-N-1,3-thiazol-2-ylpyridine-2-carboxamide
CID 11120251
Tert-butyl {2-[(1,3-thiazol-2-ylamino)carbonyl]pyridin-3-YL}carbamate
CID 11809364
N-(4-Pyridin-2-yl-thiazol-2-yl)-benzamide
CID 4119262
N-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 2463754
5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 4782304
Ethyl 2-(isonicotinamido)-4-methylthiazole-5-carboxylate
CID 719362
Pyridine-2-carboxylic acid thiazol-2-ylamide
CID 1070711
Ethyl 2-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 2314998
Ethyl 2-[2-(6-chloropyridine-3-amido)-1,3-thiazol-4-yl]acetate
CID 2466542
1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 2487624
1-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 2594234
Ethyl 4-methyl-2-(pyridine-3-amido)-1,3-thiazole-5-carboxylate
CID 4124935

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate (CID 16619079) is ethyl 2-[2-(pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2ccccn2)n1.
What is the InChIKey of ethyl 2-[2-(pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is UMHXJEJQKVEFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-2-19-11(17)7-9-8-20-13(15-9)16-12(18)10-5-3-4-6-14-10/h3-6,8H,2,7H2,1H3,(H,15,16,18).
What are the key properties of ethyl 2-[2-(pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 291.33 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 16619079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).