5-[[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)amino]methyl]thiophene-3-carbonitrile

C14H16N4OS — CID 75517177

IUPAC5-[[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)amino]methyl]thiophene-3-carbonitrile
SMILESN#Cc1csc(CNc2nnc(C3CCCCC3)o2)c1
InChIInChI=1S/C14H16N4OS/c15-7-10-6-12(20-9-10)8-16-14-18-17-13(19-14)11-4-2-1-3-5-11/h6,9,11H,1-5,8H2,(H,16,18)
InChIKeyKGRLQYVEUBFVDT-UHFFFAOYSA-N
MW288.38 g/mol
LogP3.66
Rot. Bonds4

About 5-[[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)amino]methyl]thiophene-3-carbonitrile

5-[[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)amino]methyl]thiophene-3-carbonitrile (PubChem CID 75517177) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 5-[[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)amino]methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)amino]methyl]thiophene-3-carbonitrile
PubChem CID75517177
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name5-[[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)amino]methyl]thiophene-3-carbonitrile
SMILESN#Cc1csc(CNc2nnc(C3CCCCC3)o2)c1
InChIInChI=1S/C14H16N4OS/c15-7-10-6-12(20-9-10)8-16-14-18-17-13(19-14)11-4-2-1-3-5-11/h6,9,11H,1-5,8H2,(H,16,18)
InChIKeyKGRLQYVEUBFVDT-UHFFFAOYSA-N
XLogP3.66
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)amino]methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)amino]methyl]thiophene-3-carbonitrile (CID 75517177) is 5-[[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)amino]methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)amino]methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)amino]methyl]thiophene-3-carbonitrile is N#Cc1csc(CNc2nnc(C3CCCCC3)o2)c1.
What is the InChIKey of 5-[[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)amino]methyl]thiophene-3-carbonitrile?
The InChIKey is KGRLQYVEUBFVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c15-7-10-6-12(20-9-10)8-16-14-18-17-13(19-14)11-4-2-1-3-5-11/h6,9,11H,1-5,8H2,(H,16,18).
What are the key properties of 5-[[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)amino]methyl]thiophene-3-carbonitrile?
5-[[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)amino]methyl]thiophene-3-carbonitrile has a molecular weight of 288.38 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)amino]methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 75517177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).