ethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazole-4-carboxylate

C13H14N4O2S — CID 45267031

IUPACethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N/N=C(\C)c2ccccn2)n1
InChIInChI=1S/C13H14N4O2S/c1-3-19-12(18)11-8-20-13(15-11)17-16-9(2)10-6-4-5-7-14-10/h4-8H,3H2,1-2H3,(H,15,17)/b16-9+
InChIKeyQTBQLJYIWDRYGJ-CXUHLZMHSA-N
MW290.35 g/mol
LogP2.55
Rot. Bonds5

About ethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazole-4-carboxylate

ethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazole-4-carboxylate (PubChem CID 45267031) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is ethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazole-4-carboxylate
PubChem CID45267031
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Nameethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N/N=C(\C)c2ccccn2)n1
InChIInChI=1S/C13H14N4O2S/c1-3-19-12(18)11-8-20-13(15-11)17-16-9(2)10-6-4-5-7-14-10/h4-8H,3H2,1-2H3,(H,15,17)/b16-9+
InChIKeyQTBQLJYIWDRYGJ-CXUHLZMHSA-N
XLogP2.55
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-methyl-2-[(2E)-2-[1-(2-pyridyl)ethylidene]hydrazino]thiazole-5-carboxylate
CID 14407558
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
2-(Pyridin-4-ylamino)-thiazole-4-carboxylic acid ethyl ester
CID 2742075
ethyl 2-[(2E)-2-(3-pyridylmethylene)hydrazino]thiazole-4-carboxylate
CID 44221694
ethyl 2-[(2E)-2-(4-pyridylmethylene)hydrazino]thiazole-4-carboxylate
CID 44221696
ethyl 4-methyl-2-[(2E)-2-[1-(4-pyridyl)ethylidene]hydrazino]thiazole-5-carboxylate
CID 73346445
ethyl 4-methyl-2-[(2E)-2-[1-(3-pyridyl)ethylidene]hydrazino]thiazole-5-carboxylate
CID 73351041
ethyl 2-[2-[(2E)-2-[1-(2-pyridyl)ethylidene]hydrazino]thiazol-4-yl]acetate
CID 73357080
Ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate
CID 2996058
Ethyl 2-pyridin-2-yl-1,3-thiazole-4-carboxylate
CID 10082761
Ethyl 2-(pyridin-4-YL)thiazole-4-carboxylate
CID 595483

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazole-4-carboxylate (CID 45267031) is ethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(N/N=C(\C)c2ccccn2)n1.
What is the InChIKey of ethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazole-4-carboxylate?
The InChIKey is QTBQLJYIWDRYGJ-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-3-19-12(18)11-8-20-13(15-11)17-16-9(2)10-6-4-5-7-14-10/h4-8H,3H2,1-2H3,(H,15,17)/b16-9+.
What are the key properties of ethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazole-4-carboxylate?
ethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazole-4-carboxylate has a molecular weight of 290.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 45267031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).