N'-butanoyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]butanehydrazide

C13H15F3N4O2S — CID 139660258

IUPACN'-butanoyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]butanehydrazide
SMILESCCCC(=O)NN(C(=O)CCC)c1nc(C(F)(F)F)c(C#N)s1
InChIInChI=1S/C13H15F3N4O2S/c1-3-5-9(21)19-20(10(22)6-4-2)12-18-11(13(14,15)16)8(7-17)23-12/h3-6H2,1-2H3,(H,19,21)
InChIKeyUPIARVVCOKXTHU-UHFFFAOYSA-N
MW348.35 g/mol
LogP3.00
Rot. Bonds5

About N'-butanoyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]butanehydrazide

N'-butanoyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]butanehydrazide (PubChem CID 139660258) has the molecular formula C13H15F3N4O2S and a molecular weight of 348.35 g/mol. Its IUPAC name is N'-butanoyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]butanehydrazide.

Molecular Properties

Compound NameN'-butanoyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]butanehydrazide
PubChem CID139660258
Molecular FormulaC13H15F3N4O2S
Molecular Weight348.35 g/mol
Exact Mass348.09
IUPAC NameN'-butanoyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]butanehydrazide
SMILESCCCC(=O)NN(C(=O)CCC)c1nc(C(F)(F)F)c(C#N)s1
InChIInChI=1S/C13H15F3N4O2S/c1-3-5-9(21)19-20(10(22)6-4-2)12-18-11(13(14,15)16)8(7-17)23-12/h3-6H2,1-2H3,(H,19,21)
InChIKeyUPIARVVCOKXTHU-UHFFFAOYSA-N
XLogP3.00
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-butanoyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]butanehydrazide 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 N'-butanoyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]butanehydrazide?
The IUPAC name of N'-butanoyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]butanehydrazide (CID 139660258) is N'-butanoyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]butanehydrazide.
What is the SMILES notation for N'-butanoyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]butanehydrazide?
The canonical SMILES for N'-butanoyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]butanehydrazide is CCCC(=O)NN(C(=O)CCC)c1nc(C(F)(F)F)c(C#N)s1.
What is the InChIKey of N'-butanoyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]butanehydrazide?
The InChIKey is UPIARVVCOKXTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O2S/c1-3-5-9(21)19-20(10(22)6-4-2)12-18-11(13(14,15)16)8(7-17)23-12/h3-6H2,1-2H3,(H,19,21).
What are the key properties of N'-butanoyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]butanehydrazide?
N'-butanoyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]butanehydrazide has a molecular weight of 348.35 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butanoyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]butanehydrazide is sourced from PubChem (CID 139660258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).