2-cyclopentylsulfanyl-N'-[2-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide

C18H18F3N3OS — CID 55884147

IUPAC2-cyclopentylsulfanyl-N'-[2-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide
SMILESO=C(NNc1ccccc1C(F)(F)F)c1cccnc1SC1CCCC1
InChIInChI=1S/C18H18F3N3OS/c19-18(20,21)14-9-3-4-10-15(14)23-24-16(25)13-8-5-11-22-17(13)26-12-6-1-2-7-12/h3-5,8-12,23H,1-2,6-7H2,(H,24,25)
InChIKeyDCNJJBLHKXRFHF-UHFFFAOYSA-N
MW381.42 g/mol
LogP4.89
Rot. Bonds5

About 2-cyclopentylsulfanyl-N'-[2-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide

2-cyclopentylsulfanyl-N'-[2-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide (PubChem CID 55884147) has the molecular formula C18H18F3N3OS and a molecular weight of 381.42 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N'-[2-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N'-[2-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide
PubChem CID55884147
Molecular FormulaC18H18F3N3OS
Molecular Weight381.42 g/mol
Exact Mass381.11
IUPAC Name2-cyclopentylsulfanyl-N'-[2-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide
SMILESO=C(NNc1ccccc1C(F)(F)F)c1cccnc1SC1CCCC1
InChIInChI=1S/C18H18F3N3OS/c19-18(20,21)14-9-3-4-10-15(14)23-24-16(25)13-8-5-11-22-17(13)26-12-6-1-2-7-12/h3-5,8-12,23H,1-2,6-7H2,(H,24,25)
InChIKeyDCNJJBLHKXRFHF-UHFFFAOYSA-N
XLogP4.89
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-cyclopentylsulfanyl-N'-[2-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide?
The IUPAC name of 2-cyclopentylsulfanyl-N'-[2-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide (CID 55884147) is 2-cyclopentylsulfanyl-N'-[2-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N'-[2-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide?
The canonical SMILES for 2-cyclopentylsulfanyl-N'-[2-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide is O=C(NNc1ccccc1C(F)(F)F)c1cccnc1SC1CCCC1.
What is the InChIKey of 2-cyclopentylsulfanyl-N'-[2-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide?
The InChIKey is DCNJJBLHKXRFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3OS/c19-18(20,21)14-9-3-4-10-15(14)23-24-16(25)13-8-5-11-22-17(13)26-12-6-1-2-7-12/h3-5,8-12,23H,1-2,6-7H2,(H,24,25).
What are the key properties of 2-cyclopentylsulfanyl-N'-[2-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide?
2-cyclopentylsulfanyl-N'-[2-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide has a molecular weight of 381.42 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N'-[2-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 55884147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).