N'-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)pyridine-2-carbohydrazide

C15H10F3N5OS — CID 154759422

IUPACN'-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)pyridine-2-carbohydrazide
SMILESO=C(NNc1nnc(-c2ccccc2)s1)c1ncccc1C(F)(F)F
InChIInChI=1S/C15H10F3N5OS/c16-15(17,18)10-7-4-8-19-11(10)12(24)20-22-14-23-21-13(25-14)9-5-2-1-3-6-9/h1-8H,(H,20,24)(H,22,23)
InChIKeyOKJIHNFOWFTXMT-UHFFFAOYSA-N
MW365.34 g/mol
LogP3.38
Rot. Bonds4

About N'-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)pyridine-2-carbohydrazide

N'-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)pyridine-2-carbohydrazide (PubChem CID 154759422) has the molecular formula C15H10F3N5OS and a molecular weight of 365.34 g/mol. Its IUPAC name is N'-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)pyridine-2-carbohydrazide
PubChem CID154759422
Molecular FormulaC15H10F3N5OS
Molecular Weight365.34 g/mol
Exact Mass365.06
IUPAC NameN'-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)pyridine-2-carbohydrazide
SMILESO=C(NNc1nnc(-c2ccccc2)s1)c1ncccc1C(F)(F)F
InChIInChI=1S/C15H10F3N5OS/c16-15(17,18)10-7-4-8-19-11(10)12(24)20-22-14-23-21-13(25-14)9-5-2-1-3-6-9/h1-8H,(H,20,24)(H,22,23)
InChIKeyOKJIHNFOWFTXMT-UHFFFAOYSA-N
XLogP3.38
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-phenyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)pyridine-2-carbohydrazide?
The IUPAC name of N'-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)pyridine-2-carbohydrazide (CID 154759422) is N'-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)pyridine-2-carbohydrazide.
What is the SMILES notation for N'-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)pyridine-2-carbohydrazide?
The canonical SMILES for N'-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)pyridine-2-carbohydrazide is O=C(NNc1nnc(-c2ccccc2)s1)c1ncccc1C(F)(F)F.
What is the InChIKey of N'-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)pyridine-2-carbohydrazide?
The InChIKey is OKJIHNFOWFTXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N5OS/c16-15(17,18)10-7-4-8-19-11(10)12(24)20-22-14-23-21-13(25-14)9-5-2-1-3-6-9/h1-8H,(H,20,24)(H,22,23).
What are the key properties of N'-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)pyridine-2-carbohydrazide?
N'-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)pyridine-2-carbohydrazide has a molecular weight of 365.34 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)pyridine-2-carbohydrazide is sourced from PubChem (CID 154759422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).