1-(cyclohexylideneamino)-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

C17H14F3N3OS — CID 67340156

IUPAC1-(cyclohexylideneamino)-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2cccs2)n(N=C2CCCCC2)c1=O
InChIInChI=1S/C17H14F3N3OS/c18-17(19,20)13-9-14(15-7-4-8-25-15)23(16(24)12(13)10-21)22-11-5-2-1-3-6-11/h4,7-9H,1-3,5-6H2
InChIKeyBVEZEPOQWORYJM-UHFFFAOYSA-N
MW365.38 g/mol
LogP4.64
Rot. Bonds2

About 1-(cyclohexylideneamino)-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

1-(cyclohexylideneamino)-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 67340156) has the molecular formula C17H14F3N3OS and a molecular weight of 365.38 g/mol. Its IUPAC name is 1-(cyclohexylideneamino)-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(cyclohexylideneamino)-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID67340156
Molecular FormulaC17H14F3N3OS
Molecular Weight365.38 g/mol
Exact Mass365.08
IUPAC Name1-(cyclohexylideneamino)-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2cccs2)n(N=C2CCCCC2)c1=O
InChIInChI=1S/C17H14F3N3OS/c18-17(19,20)13-9-14(15-7-4-8-25-15)23(16(24)12(13)10-21)22-11-5-2-1-3-6-11/h4,7-9H,1-3,5-6H2
InChIKeyBVEZEPOQWORYJM-UHFFFAOYSA-N
XLogP4.64
TPSA58.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylideneamino)-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 1-(cyclohexylideneamino)-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 67340156) is 1-(cyclohexylideneamino)-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 1-(cyclohexylideneamino)-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 1-(cyclohexylideneamino)-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(-c2cccs2)n(N=C2CCCCC2)c1=O.
What is the InChIKey of 1-(cyclohexylideneamino)-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is BVEZEPOQWORYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3OS/c18-17(19,20)13-9-14(15-7-4-8-25-15)23(16(24)12(13)10-21)22-11-5-2-1-3-6-11/h4,7-9H,1-3,5-6H2.
What are the key properties of 1-(cyclohexylideneamino)-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
1-(cyclohexylideneamino)-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 365.38 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylideneamino)-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 67340156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).