methyl 2-(2-benzoylhydrazinyl)-5-phenyl-1,3-thiazole-4-carboxylate

C18H15N3O3S — CID 2029361

IUPACmethyl 2-(2-benzoylhydrazinyl)-5-phenyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NNC(=O)c2ccccc2)sc1-c1ccccc1
InChIInChI=1S/C18H15N3O3S/c1-24-17(23)14-15(12-8-4-2-5-9-12)25-18(19-14)21-20-16(22)13-10-6-3-7-11-13/h2-11H,1H3,(H,19,21)(H,20,22)
InChIKeyYLFQJNBXHGJJAW-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.35
Rot. Bonds5

About methyl 2-(2-benzoylhydrazinyl)-5-phenyl-1,3-thiazole-4-carboxylate

methyl 2-(2-benzoylhydrazinyl)-5-phenyl-1,3-thiazole-4-carboxylate (PubChem CID 2029361) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is methyl 2-(2-benzoylhydrazinyl)-5-phenyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-benzoylhydrazinyl)-5-phenyl-1,3-thiazole-4-carboxylate
PubChem CID2029361
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Namemethyl 2-(2-benzoylhydrazinyl)-5-phenyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NNC(=O)c2ccccc2)sc1-c1ccccc1
InChIInChI=1S/C18H15N3O3S/c1-24-17(23)14-15(12-8-4-2-5-9-12)25-18(19-14)21-20-16(22)13-10-6-3-7-11-13/h2-11H,1H3,(H,19,21)(H,20,22)
InChIKeyYLFQJNBXHGJJAW-UHFFFAOYSA-N
XLogP3.35
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 2-(2-benzoylhydrazinyl)-5-phenyl-1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate
CID 664327
Thiazole-5-carboxylic acid, 4-methyl-2-[N'-(4-methylbenzoyl)hydrazino]-, ethyl ester
CID 932966
Ethyl 2-[2-(4-fluorobenzoyl)hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 936722
Ethyl 5-methyl-2-(2-(4-nitrobenzoyl)hydrazinyl)-4-thiazolecarboxylate
CID 3815079
Methyl 2-amino-5-benzyl-1,3-thiazole-4-carboxylate
CID 49767430
Ethyl 2-(2-benzoylhydrazino)-1,3-thiazole-4-carboxylate
CID 1077164
2-Hydrazino-4-methoxycarbonyl-5-phenylthiazole
CID 14910553
Ethyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate
CID 12603728
Methyl 2-(isobutyrylamino)-5-phenethyl-1,3-thiazole-4-carboxylate
CID 60176778
Methyl 2-amino-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 2782963
Methyl 2-amino-5-(2-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 2782987
Methyl 2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 2783208

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-benzoylhydrazinyl)-5-phenyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(2-benzoylhydrazinyl)-5-phenyl-1,3-thiazole-4-carboxylate (CID 2029361) is methyl 2-(2-benzoylhydrazinyl)-5-phenyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(2-benzoylhydrazinyl)-5-phenyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(2-benzoylhydrazinyl)-5-phenyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(NNC(=O)c2ccccc2)sc1-c1ccccc1.
What is the InChIKey of methyl 2-(2-benzoylhydrazinyl)-5-phenyl-1,3-thiazole-4-carboxylate?
The InChIKey is YLFQJNBXHGJJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-24-17(23)14-15(12-8-4-2-5-9-12)25-18(19-14)21-20-16(22)13-10-6-3-7-11-13/h2-11H,1H3,(H,19,21)(H,20,22).
What are the key properties of methyl 2-(2-benzoylhydrazinyl)-5-phenyl-1,3-thiazole-4-carboxylate?
methyl 2-(2-benzoylhydrazinyl)-5-phenyl-1,3-thiazole-4-carboxylate has a molecular weight of 353.40 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-benzoylhydrazinyl)-5-phenyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 2029361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).