ethyl 2-[2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate

C14H16N4O2S — CID 73357080

IUPACethyl 2-[2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N/N=C(\C)c2ccccn2)n1
InChIInChI=1S/C14H16N4O2S/c1-3-20-13(19)8-11-9-21-14(16-11)18-17-10(2)12-6-4-5-7-15-12/h4-7,9H,3,8H2,1-2H3,(H,16,18)/b17-10+
InChIKeyIOEMKPCIYUVUTA-LICLKQGHSA-N
MW304.38 g/mol
LogP2.48
Rot. Bonds6

About ethyl 2-[2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate (PubChem CID 73357080) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is ethyl 2-[2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate
PubChem CID73357080
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Nameethyl 2-[2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N/N=C(\C)c2ccccn2)n1
InChIInChI=1S/C14H16N4O2S/c1-3-20-13(19)8-11-9-21-14(16-11)18-17-10(2)12-6-4-5-7-15-12/h4-7,9H,3,8H2,1-2H3,(H,16,18)/b17-10+
InChIKeyIOEMKPCIYUVUTA-LICLKQGHSA-N
XLogP2.48
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.48
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'}

Analyze ethyl 2-[2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-{(E)-[2-(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl}pyridine
CID 5711093
2-Pyridinecarbaldehyde (4,5-dimethyl-1,3-thiazol-2-yl)hydrazone
CID 9662480
ethyl 4-methyl-2-[(2E)-2-[1-(2-pyridyl)ethylidene]hydrazino]thiazole-5-carboxylate
CID 14407558
(Z)-ethyl 2-(2-(2-(4-(dimethylamino)benzylidene)hydrazinyl)thiazol-4-yl)acetate
CID 5348412
ethyl 2-[(2E)-2-[1-(2-pyridyl)ethylidene]hydrazino]thiazole-4-carboxylate
CID 45267031
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
4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine
CID 73352167
1-[4-methyl-2-[(2E)-2-[1-(2-pyridyl)ethylidene]hydrazino]thiazol-5-yl]ethanone
CID 73352518
ethyl 2-[2-[(2E)-2-[1-(3-pyridyl)ethylidene]hydrazino]thiazol-4-yl]acetate
CID 73354001
Ethyl (2-{[(2-pyridinylthio)acetyl]amino}-1,3-thiazol-4-yl)acetate
CID 2817781
Ethyl 2-[2-(pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 16619079

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate (CID 73357080) is ethyl 2-[2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(N/N=C(\C)c2ccccn2)n1.
What is the InChIKey of ethyl 2-[2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is IOEMKPCIYUVUTA-LICLKQGHSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-3-20-13(19)8-11-9-21-14(16-11)18-17-10(2)12-6-4-5-7-15-12/h4-7,9H,3,8H2,1-2H3,(H,16,18)/b17-10+.
What are the key properties of ethyl 2-[2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 304.38 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 73357080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).