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

C14H17F3N4O2S — CID 139660220

IUPACN'-butanoyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-methylbutanehydrazide
SMILESCCCC(=O)N(C)N(C(=O)CCC)c1nc(C(F)(F)F)c(C#N)s1
InChIInChI=1S/C14H17F3N4O2S/c1-4-6-10(22)20(3)21(11(23)7-5-2)13-19-12(14(15,16)17)9(8-18)24-13/h4-7H2,1-3H3
InChIKeyGCNYYQYXKZQMMN-UHFFFAOYSA-N
MW362.38 g/mol
LogP3.34
Rot. Bonds5

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

N'-butanoyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-methylbutanehydrazide (PubChem CID 139660220) has the molecular formula C14H17F3N4O2S and a molecular weight of 362.38 g/mol. Its IUPAC name is N'-butanoyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-methylbutanehydrazide.

Molecular Properties

Compound NameN'-butanoyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-methylbutanehydrazide
PubChem CID139660220
Molecular FormulaC14H17F3N4O2S
Molecular Weight362.38 g/mol
Exact Mass362.10
IUPAC NameN'-butanoyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-methylbutanehydrazide
SMILESCCCC(=O)N(C)N(C(=O)CCC)c1nc(C(F)(F)F)c(C#N)s1
InChIInChI=1S/C14H17F3N4O2S/c1-4-6-10(22)20(3)21(11(23)7-5-2)13-19-12(14(15,16)17)9(8-18)24-13/h4-7H2,1-3H3
InChIKeyGCNYYQYXKZQMMN-UHFFFAOYSA-N
XLogP3.34
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 53.34
H-Bond Donors ≤ 50
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]-N-methylbutanehydrazide 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]-N-methylbutanehydrazide?
The IUPAC name of N'-butanoyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-methylbutanehydrazide (CID 139660220) is N'-butanoyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-methylbutanehydrazide.
What is the SMILES notation for N'-butanoyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-methylbutanehydrazide?
The canonical SMILES for N'-butanoyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-methylbutanehydrazide is CCCC(=O)N(C)N(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]-N-methylbutanehydrazide?
The InChIKey is GCNYYQYXKZQMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O2S/c1-4-6-10(22)20(3)21(11(23)7-5-2)13-19-12(14(15,16)17)9(8-18)24-13/h4-7H2,1-3H3.
What are the key properties of N'-butanoyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-methylbutanehydrazide?
N'-butanoyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-methylbutanehydrazide has a molecular weight of 362.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 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]-N-methylbutanehydrazide is sourced from PubChem (CID 139660220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).