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

C15H17N3O2S — CID 73355531

IUPACethyl 4-methyl-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N/N=C(\C)c2ccccc2)nc1C
InChIInChI=1S/C15H17N3O2S/c1-4-20-14(19)13-11(3)16-15(21-13)18-17-10(2)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3,(H,16,18)/b17-10+
InChIKeyHSJDULXAYHDAAN-LICLKQGHSA-N
MW303.39 g/mol
LogP3.46
Rot. Bonds5

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

ethyl 4-methyl-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate (PubChem CID 73355531) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is ethyl 4-methyl-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate
PubChem CID73355531
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Nameethyl 4-methyl-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N/N=C(\C)c2ccccc2)nc1C
InChIInChI=1S/C15H17N3O2S/c1-4-20-14(19)13-11(3)16-15(21-13)18-17-10(2)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3,(H,16,18)/b17-10+
InChIKeyHSJDULXAYHDAAN-LICLKQGHSA-N
XLogP3.46
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-phenylethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate (CID 73355531) is ethyl 4-methyl-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N/N=C(\C)c2ccccc2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate?
The InChIKey is HSJDULXAYHDAAN-LICLKQGHSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-4-20-14(19)13-11(3)16-15(21-13)18-17-10(2)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3,(H,16,18)/b17-10+.
What are the key properties of ethyl 4-methyl-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate has a molecular weight of 303.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 73355531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).