ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate

C11H11N3O2S — CID 2996058

IUPACethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Nc2ccccn2)n1
InChIInChI=1S/C11H11N3O2S/c1-2-16-10(15)8-7-17-11(13-8)14-9-5-3-4-6-12-9/h3-7H,2H2,1H3,(H,12,13,14)
InChIKeyOJLOWWJZAOEGDR-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.46
Rot. Bonds4

About ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate

ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate (PubChem CID 2996058) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate
PubChem CID2996058
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Nameethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Nc2ccccn2)n1
InChIInChI=1S/C11H11N3O2S/c1-2-16-10(15)8-7-17-11(13-8)14-9-5-3-4-6-12-9/h3-7H,2H2,1H3,(H,12,13,14)
InChIKeyOJLOWWJZAOEGDR-UHFFFAOYSA-N
XLogP2.46
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(2E)-2-[1-(4-pyridyl)ethylidene]hydrazino]thiazole-4-carboxylate
CID 43835789
ethyl 2-[(2E)-2-[1-(3-pyridyl)ethylidene]hydrazino]thiazole-4-carboxylate
CID 44221695
Ethyl 2-(phenylamino)-4-thiazolecarboxylate
CID 15053537
2-[6-(Ethylcarbamoylamino)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid
CID 59208440
Pyridine-2-carboxylic acid thiazol-2-ylcarbamoylmethyl ester
CID 652523
ethyl 2-[(2E)-2-[1-(2-pyridyl)ethylidene]hydrazino]thiazole-4-carboxylate
CID 45267031
Ethyl 2-oxo-2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]acetate
CID 13177645
2-(Pyridin-4-ylamino)-thiazole-4-carboxylic acid ethyl ester
CID 2742075
2-[(Pyridin-2-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 18322931
Ethyl 2-oxo-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetate
CID 13177646
Ethyl 2-oxo-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]acetate
CID 13177647
ethyl 2-[(2E)-2-(3-pyridylmethylene)hydrazino]thiazole-4-carboxylate
CID 44221694

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate (CID 2996058) is ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(Nc2ccccn2)n1.
What is the InChIKey of ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is OJLOWWJZAOEGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-2-16-10(15)8-7-17-11(13-8)14-9-5-3-4-6-12-9/h3-7H,2H2,1H3,(H,12,13,14).
What are the key properties of ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate?
ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 249.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 2996058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).