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

C14H16N4O2S — CID 73354001

IUPACethyl 2-[2-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N/N=C(\C)c2cccnc2)n1
InChIInChI=1S/C14H16N4O2S/c1-3-20-13(19)7-12-9-21-14(16-12)18-17-10(2)11-5-4-6-15-8-11/h4-6,8-9H,3,7H2,1-2H3,(H,16,18)/b17-10+
InChIKeyDDNNZKRMRHKNQS-LICLKQGHSA-N
MW304.38 g/mol
LogP2.48
Rot. Bonds6

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

ethyl 2-[2-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate (PubChem CID 73354001) 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-3-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate
PubChem CID73354001
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Nameethyl 2-[2-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N/N=C(\C)c2cccnc2)n1
InChIInChI=1S/C14H16N4O2S/c1-3-20-13(19)7-12-9-21-14(16-12)18-17-10(2)11-5-4-6-15-8-11/h4-6,8-9H,3,7H2,1-2H3,(H,16,18)/b17-10+
InChIKeyDDNNZKRMRHKNQS-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-3-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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate (CID 73354001) is ethyl 2-[2-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(N/N=C(\C)c2cccnc2)n1.
What is the InChIKey of ethyl 2-[2-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is DDNNZKRMRHKNQS-LICLKQGHSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-3-20-13(19)7-12-9-21-14(16-12)18-17-10(2)11-5-4-6-15-8-11/h4-6,8-9H,3,7H2,1-2H3,(H,16,18)/b17-10+.
What are the key properties of ethyl 2-[2-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(2E)-2-(1-pyridin-3-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-3-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 73354001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).