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

C15H17N3O3S — CID 932966

IUPACethyl 4-methyl-2-[2-(4-methylbenzoyl)hydrazinyl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NNC(=O)c2ccc(C)cc2)nc1C
InChIInChI=1S/C15H17N3O3S/c1-4-21-14(20)12-10(3)16-15(22-12)18-17-13(19)11-7-5-9(2)6-8-11/h5-8H,4H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyOGMFZQPMCUFZHE-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.69
Rot. Bonds5

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

ethyl 4-methyl-2-[2-(4-methylbenzoyl)hydrazinyl]-1,3-thiazole-5-carboxylate (PubChem CID 932966) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is ethyl 4-methyl-2-[2-(4-methylbenzoyl)hydrazinyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[2-(4-methylbenzoyl)hydrazinyl]-1,3-thiazole-5-carboxylate
PubChem CID932966
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Nameethyl 4-methyl-2-[2-(4-methylbenzoyl)hydrazinyl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NNC(=O)c2ccc(C)cc2)nc1C
InChIInChI=1S/C15H17N3O3S/c1-4-21-14(20)12-10(3)16-15(22-12)18-17-13(19)11-7-5-9(2)6-8-11/h5-8H,4H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyOGMFZQPMCUFZHE-UHFFFAOYSA-N
XLogP2.69
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-[2-(4-methylbenzoyl)hydrazinyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[2-(4-methylbenzoyl)hydrazinyl]-1,3-thiazole-5-carboxylate (CID 932966) is ethyl 4-methyl-2-[2-(4-methylbenzoyl)hydrazinyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[2-(4-methylbenzoyl)hydrazinyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[2-(4-methylbenzoyl)hydrazinyl]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NNC(=O)c2ccc(C)cc2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[2-(4-methylbenzoyl)hydrazinyl]-1,3-thiazole-5-carboxylate?
The InChIKey is OGMFZQPMCUFZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-4-21-14(20)12-10(3)16-15(22-12)18-17-13(19)11-7-5-9(2)6-8-11/h5-8H,4H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of ethyl 4-methyl-2-[2-(4-methylbenzoyl)hydrazinyl]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[2-(4-methylbenzoyl)hydrazinyl]-1,3-thiazole-5-carboxylate has a molecular weight of 319.39 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[2-(4-methylbenzoyl)hydrazinyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 932966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).