2-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazol-5-yl]acetohydrazide

C16H14F3N5OS — CID 1472827

IUPAC2-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazol-5-yl]acetohydrazide
SMILESCc1cc(C(F)(F)F)n(-c2nc(-c3ccccc3)c(CC(=O)NN)s2)n1
InChIInChI=1S/C16H14F3N5OS/c1-9-7-12(16(17,18)19)24(23-9)15-21-14(10-5-3-2-4-6-10)11(26-15)8-13(25)22-20/h2-7H,8,20H2,1H3,(H,22,25)
InChIKeyFODGXENEXLSOCB-UHFFFAOYSA-N
MW381.38 g/mol
LogP2.86
Rot. Bonds4

About 2-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazol-5-yl]acetohydrazide

2-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazol-5-yl]acetohydrazide (PubChem CID 1472827) has the molecular formula C16H14F3N5OS and a molecular weight of 381.38 g/mol. Its IUPAC name is 2-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazol-5-yl]acetohydrazide.

Molecular Properties

Compound Name2-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazol-5-yl]acetohydrazide
PubChem CID1472827
Molecular FormulaC16H14F3N5OS
Molecular Weight381.38 g/mol
Exact Mass381.09
IUPAC Name2-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazol-5-yl]acetohydrazide
SMILESCc1cc(C(F)(F)F)n(-c2nc(-c3ccccc3)c(CC(=O)NN)s2)n1
InChIInChI=1S/C16H14F3N5OS/c1-9-7-12(16(17,18)19)24(23-9)15-21-14(10-5-3-2-4-6-10)11(26-15)8-13(25)22-20/h2-7H,8,20H2,1H3,(H,22,25)
InChIKeyFODGXENEXLSOCB-UHFFFAOYSA-N
XLogP2.86
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazol-5-yl]acetohydrazide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazol-5-yl]acetohydrazide?
The IUPAC name of 2-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazol-5-yl]acetohydrazide (CID 1472827) is 2-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazol-5-yl]acetohydrazide.
What is the SMILES notation for 2-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazol-5-yl]acetohydrazide?
The canonical SMILES for 2-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazol-5-yl]acetohydrazide is Cc1cc(C(F)(F)F)n(-c2nc(-c3ccccc3)c(CC(=O)NN)s2)n1.
What is the InChIKey of 2-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazol-5-yl]acetohydrazide?
The InChIKey is FODGXENEXLSOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5OS/c1-9-7-12(16(17,18)19)24(23-9)15-21-14(10-5-3-2-4-6-10)11(26-15)8-13(25)22-20/h2-7H,8,20H2,1H3,(H,22,25).
What are the key properties of 2-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazol-5-yl]acetohydrazide?
2-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazol-5-yl]acetohydrazide has a molecular weight of 381.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazol-5-yl]acetohydrazide is sourced from PubChem (CID 1472827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).