N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide

C12H9F3N2OS — CID 2811204

IUPACN'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide
SMILESO=C(NNc1ccccc1C(F)(F)F)c1cccs1
InChIInChI=1S/C12H9F3N2OS/c13-12(14,15)8-4-1-2-5-9(8)16-17-11(18)10-6-3-7-19-10/h1-7,16H,(H,17,18)
InChIKeyZNQJHTBKPZKWBX-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.52
Rot. Bonds3

About N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide

N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide (PubChem CID 2811204) has the molecular formula C12H9F3N2OS and a molecular weight of 286.28 g/mol. Its IUPAC name is N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide
PubChem CID2811204
Molecular FormulaC12H9F3N2OS
Molecular Weight286.28 g/mol
Exact Mass286.04
IUPAC NameN'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide
SMILESO=C(NNc1ccccc1C(F)(F)F)c1cccs1
InChIInChI=1S/C12H9F3N2OS/c13-12(14,15)8-4-1-2-5-9(8)16-17-11(18)10-6-3-7-19-10/h1-7,16H,(H,17,18)
InChIKeyZNQJHTBKPZKWBX-UHFFFAOYSA-N
XLogP3.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-N'-[2-(trifluoromethyl)phenyl]benzohydrazide
CID 55343394
[2-(trifluoromethyl)anilino]urea
CID 141255172
(3S)-1-(thiophene-2-carbonyl)-N'-[2-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide
CID 39982573
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(thiophene-2-carbonylamino)acetate
CID 2478990
N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]thiophene-2-carboxamide
CID 108934166
N-[4-[[2-(trifluoromethyl)anilino]carbamoyl]phenyl]benzenesulfonamide
CID 25469578
N-[2-(chloromethyl)phenyl]thiophene-2-carboxamide
CID 114298046
N'-[3-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide
CID 7979324
N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 22780441
[2-(trifluoromethyl)anilino]thiourea
CID 54297907
N'-[4-(trifluoromethyl)phenyl]sulfonylthiophene-2-carbohydrazide
CID 8617155
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 24671974

Frequently Asked Questions

What is the IUPAC name of N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide (CID 2811204) is N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide is O=C(NNc1ccccc1C(F)(F)F)c1cccs1.
What is the InChIKey of N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide?
The InChIKey is ZNQJHTBKPZKWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2OS/c13-12(14,15)8-4-1-2-5-9(8)16-17-11(18)10-6-3-7-19-10/h1-7,16H,(H,17,18).
What are the key properties of N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide?
N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide has a molecular weight of 286.28 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 2811204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).