4-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-5-methyl-2H-triazole

C15H19N3S — CID 146557757

IUPAC4-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-5-methyl-2H-triazole
SMILESCc1n[nH]nc1-c1ccc(/C=C/C2CCCCC2)s1
InChIInChI=1S/C15H19N3S/c1-11-15(17-18-16-11)14-10-9-13(19-14)8-7-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,16,17,18)/b8-7+
InChIKeyOJSWHOPPVOWABH-BQYQJAHWSA-N
MW273.40 g/mol
LogP4.44
Rot. Bonds3

About 4-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-5-methyl-2H-triazole

4-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-5-methyl-2H-triazole (PubChem CID 146557757) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 4-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-5-methyl-2H-triazole.

Molecular Properties

Compound Name4-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-5-methyl-2H-triazole
PubChem CID146557757
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name4-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-5-methyl-2H-triazole
SMILESCc1n[nH]nc1-c1ccc(/C=C/C2CCCCC2)s1
InChIInChI=1S/C15H19N3S/c1-11-15(17-18-16-11)14-10-9-13(19-14)8-7-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,16,17,18)/b8-7+
InChIKeyOJSWHOPPVOWABH-BQYQJAHWSA-N
XLogP4.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-5-methyl-2H-triazole?
The IUPAC name of 4-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-5-methyl-2H-triazole (CID 146557757) is 4-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-5-methyl-2H-triazole.
What is the SMILES notation for 4-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-5-methyl-2H-triazole?
The canonical SMILES for 4-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-5-methyl-2H-triazole is Cc1n[nH]nc1-c1ccc(/C=C/C2CCCCC2)s1.
What is the InChIKey of 4-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-5-methyl-2H-triazole?
The InChIKey is OJSWHOPPVOWABH-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H19N3S/c1-11-15(17-18-16-11)14-10-9-13(19-14)8-7-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,16,17,18)/b8-7+.
What are the key properties of 4-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-5-methyl-2H-triazole?
4-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-5-methyl-2H-triazole has a molecular weight of 273.40 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-5-methyl-2H-triazole is sourced from PubChem (CID 146557757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).