2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide

C11H8F3N3OS — CID 1478836

IUPAC2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide
SMILESNNC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C11H8F3N3OS/c12-11(13,14)7-3-1-2-6(4-7)10-16-8(5-19-10)9(18)17-15/h1-5H,15H2,(H,17,18)
InChIKeyOAJYHRXQFJZPDC-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.43
Rot. Bonds2

About 2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide

2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide (PubChem CID 1478836) has the molecular formula C11H8F3N3OS and a molecular weight of 287.27 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide
PubChem CID1478836
Molecular FormulaC11H8F3N3OS
Molecular Weight287.27 g/mol
Exact Mass287.03
IUPAC Name2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide
SMILESNNC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C11H8F3N3OS/c12-11(13,14)7-3-1-2-6(4-7)10-16-8(5-19-10)9(18)17-15/h1-5H,15H2,(H,17,18)
InChIKeyOAJYHRXQFJZPDC-UHFFFAOYSA-N
XLogP2.43
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide (CID 1478836) is 2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide is NNC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide?
The InChIKey is OAJYHRXQFJZPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3OS/c12-11(13,14)7-3-1-2-6(4-7)10-16-8(5-19-10)9(18)17-15/h1-5H,15H2,(H,17,18).
What are the key properties of 2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide?
2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide has a molecular weight of 287.27 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 1478836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).