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

C8H7F3N4OS — CID 139660242

IUPACN'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylacetohydrazide
SMILESCC(=O)NN(C)c1nc(C(F)(F)F)c(C#N)s1
InChIInChI=1S/C8H7F3N4OS/c1-4(16)14-15(2)7-13-6(8(9,10)11)5(3-12)17-7/h1-2H3,(H,14,16)
InChIKeyKKXXNQXWGFJCNK-UHFFFAOYSA-N
MW264.23 g/mol
LogP1.52
Rot. Bonds2

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

N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylacetohydrazide (PubChem CID 139660242) has the molecular formula C8H7F3N4OS and a molecular weight of 264.23 g/mol. Its IUPAC name is N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylacetohydrazide.

Molecular Properties

Compound NameN'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylacetohydrazide
PubChem CID139660242
Molecular FormulaC8H7F3N4OS
Molecular Weight264.23 g/mol
Exact Mass264.03
IUPAC NameN'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylacetohydrazide
SMILESCC(=O)NN(C)c1nc(C(F)(F)F)c(C#N)s1
InChIInChI=1S/C8H7F3N4OS/c1-4(16)14-15(2)7-13-6(8(9,10)11)5(3-12)17-7/h1-2H3,(H,14,16)
InChIKeyKKXXNQXWGFJCNK-UHFFFAOYSA-N
XLogP1.52
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 51.52
H-Bond Donors ≤ 51
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'-methylacetohydrazide?
The IUPAC name of N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylacetohydrazide (CID 139660242) is N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylacetohydrazide.
What is the SMILES notation for N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylacetohydrazide?
The canonical SMILES for N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylacetohydrazide is CC(=O)NN(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'-methylacetohydrazide?
The InChIKey is KKXXNQXWGFJCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4OS/c1-4(16)14-15(2)7-13-6(8(9,10)11)5(3-12)17-7/h1-2H3,(H,14,16).
What are the key properties of N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylacetohydrazide?
N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylacetohydrazide has a molecular weight of 264.23 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 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'-methylacetohydrazide is sourced from PubChem (CID 139660242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).