methyl 2-hydrazinyl-5-phenyl-1,3-thiazole-4-carboxylate

C11H11N3O2S — CID 14910553

IUPACmethyl 2-hydrazinyl-5-phenyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NN)sc1-c1ccccc1
InChIInChI=1S/C11H11N3O2S/c1-16-10(15)8-9(17-11(13-8)14-12)7-5-3-2-4-6-7/h2-6H,12H2,1H3,(H,13,14)
InChIKeyNZYLCWPIJBWDMC-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.88
Rot. Bonds3

About methyl 2-hydrazinyl-5-phenyl-1,3-thiazole-4-carboxylate

methyl 2-hydrazinyl-5-phenyl-1,3-thiazole-4-carboxylate (PubChem CID 14910553) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is methyl 2-hydrazinyl-5-phenyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-hydrazinyl-5-phenyl-1,3-thiazole-4-carboxylate
PubChem CID14910553
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Namemethyl 2-hydrazinyl-5-phenyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NN)sc1-c1ccccc1
InChIInChI=1S/C11H11N3O2S/c1-16-10(15)8-9(17-11(13-8)14-12)7-5-3-2-4-6-7/h2-6H,12H2,1H3,(H,13,14)
InChIKeyNZYLCWPIJBWDMC-UHFFFAOYSA-N
XLogP1.88
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 methyl 2-hydrazinyl-5-phenyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-hydrazinyl-5-phenyl-1,3-thiazole-4-carboxylate (CID 14910553) is methyl 2-hydrazinyl-5-phenyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-hydrazinyl-5-phenyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-hydrazinyl-5-phenyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(NN)sc1-c1ccccc1.
What is the InChIKey of methyl 2-hydrazinyl-5-phenyl-1,3-thiazole-4-carboxylate?
The InChIKey is NZYLCWPIJBWDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-16-10(15)8-9(17-11(13-8)14-12)7-5-3-2-4-6-7/h2-6H,12H2,1H3,(H,13,14).
What are the key properties of methyl 2-hydrazinyl-5-phenyl-1,3-thiazole-4-carboxylate?
methyl 2-hydrazinyl-5-phenyl-1,3-thiazole-4-carboxylate has a molecular weight of 249.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydrazinyl-5-phenyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 14910553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).