N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N,2-dimethyl-N'-(2-methylpropanoyl)propanehydrazide

C14H17F3N4O2S — CID 139660233

IUPACN'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N,2-dimethyl-N'-(2-methylpropanoyl)propanehydrazide
SMILESCC(C)C(=O)N(C)N(C(=O)C(C)C)c1nc(C(F)(F)F)c(C#N)s1
InChIInChI=1S/C14H17F3N4O2S/c1-7(2)11(22)20(5)21(12(23)8(3)4)13-19-10(14(15,16)17)9(6-18)24-13/h7-8H,1-5H3
InChIKeyXVEHKZJEQYCELD-UHFFFAOYSA-N
MW362.38 g/mol
LogP3.05
Rot. Bonds3

About N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N,2-dimethyl-N'-(2-methylpropanoyl)propanehydrazide

N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N,2-dimethyl-N'-(2-methylpropanoyl)propanehydrazide (PubChem CID 139660233) has the molecular formula C14H17F3N4O2S and a molecular weight of 362.38 g/mol. Its IUPAC name is N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N,2-dimethyl-N'-(2-methylpropanoyl)propanehydrazide.

Molecular Properties

Compound NameN'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N,2-dimethyl-N'-(2-methylpropanoyl)propanehydrazide
PubChem CID139660233
Molecular FormulaC14H17F3N4O2S
Molecular Weight362.38 g/mol
Exact Mass362.10
IUPAC NameN'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N,2-dimethyl-N'-(2-methylpropanoyl)propanehydrazide
SMILESCC(C)C(=O)N(C)N(C(=O)C(C)C)c1nc(C(F)(F)F)c(C#N)s1
InChIInChI=1S/C14H17F3N4O2S/c1-7(2)11(22)20(5)21(12(23)8(3)4)13-19-10(14(15,16)17)9(6-18)24-13/h7-8H,1-5H3
InChIKeyXVEHKZJEQYCELD-UHFFFAOYSA-N
XLogP3.05
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N,2-dimethyl-N'-(2-methylpropanoyl)propanehydrazide?
The IUPAC name of N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N,2-dimethyl-N'-(2-methylpropanoyl)propanehydrazide (CID 139660233) is N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N,2-dimethyl-N'-(2-methylpropanoyl)propanehydrazide.
What is the SMILES notation for N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N,2-dimethyl-N'-(2-methylpropanoyl)propanehydrazide?
The canonical SMILES for N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N,2-dimethyl-N'-(2-methylpropanoyl)propanehydrazide is CC(C)C(=O)N(C)N(C(=O)C(C)C)c1nc(C(F)(F)F)c(C#N)s1.
What is the InChIKey of N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N,2-dimethyl-N'-(2-methylpropanoyl)propanehydrazide?
The InChIKey is XVEHKZJEQYCELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O2S/c1-7(2)11(22)20(5)21(12(23)8(3)4)13-19-10(14(15,16)17)9(6-18)24-13/h7-8H,1-5H3.
What are the key properties of N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N,2-dimethyl-N'-(2-methylpropanoyl)propanehydrazide?
N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N,2-dimethyl-N'-(2-methylpropanoyl)propanehydrazide has a molecular weight of 362.38 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N,2-dimethyl-N'-(2-methylpropanoyl)propanehydrazide is sourced from PubChem (CID 139660233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).