ethyl 4-methyl-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate

C14H16N4O2S — CID 14407558

IUPACethyl 4-methyl-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N/N=C(\C)c2ccccn2)nc1C
InChIInChI=1S/C14H16N4O2S/c1-4-20-13(19)12-10(3)16-14(21-12)18-17-9(2)11-7-5-6-8-15-11/h5-8H,4H2,1-3H3,(H,16,18)/b17-9+
InChIKeyHXVSXELBPPIAPZ-RQZCQDPDSA-N
MW304.38 g/mol
LogP2.86
Rot. Bonds5

About ethyl 4-methyl-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate (PubChem CID 14407558) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is ethyl 4-methyl-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate
PubChem CID14407558
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Nameethyl 4-methyl-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N/N=C(\C)c2ccccn2)nc1C
InChIInChI=1S/C14H16N4O2S/c1-4-20-13(19)12-10(3)16-14(21-12)18-17-9(2)11-7-5-6-8-15-11/h5-8H,4H2,1-3H3,(H,16,18)/b17-9+
InChIKeyHXVSXELBPPIAPZ-RQZCQDPDSA-N
XLogP2.86
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.86
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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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate (CID 14407558) is ethyl 4-methyl-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N/N=C(\C)c2ccccn2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate?
The InChIKey is HXVSXELBPPIAPZ-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-4-20-13(19)12-10(3)16-14(21-12)18-17-9(2)11-7-5-6-8-15-11/h5-8H,4H2,1-3H3,(H,16,18)/b17-9+.
What are the key properties of ethyl 4-methyl-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate has a molecular weight of 304.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 14407558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).