5-(2-cyclopentylethyl)-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole

C14H19F2N5S — CID 24651926

IUPAC5-(2-cyclopentylethyl)-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole
SMILESFC(F)n1ccnc1CSc1n[nH]c(CCC2CCCC2)n1
InChIInChI=1S/C14H19F2N5S/c15-13(16)21-8-7-17-12(21)9-22-14-18-11(19-20-14)6-5-10-3-1-2-4-10/h7-8,10,13H,1-6,9H2,(H,18,19,20)
InChIKeyKNBDTBCRSZVDHB-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.81
Rot. Bonds7

About 5-(2-cyclopentylethyl)-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole

5-(2-cyclopentylethyl)-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole (PubChem CID 24651926) has the molecular formula C14H19F2N5S and a molecular weight of 327.40 g/mol. Its IUPAC name is 5-(2-cyclopentylethyl)-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(2-cyclopentylethyl)-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole
PubChem CID24651926
Molecular FormulaC14H19F2N5S
Molecular Weight327.40 g/mol
Exact Mass327.13
IUPAC Name5-(2-cyclopentylethyl)-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole
SMILESFC(F)n1ccnc1CSc1n[nH]c(CCC2CCCC2)n1
InChIInChI=1S/C14H19F2N5S/c15-13(16)21-8-7-17-12(21)9-22-14-18-11(19-20-14)6-5-10-3-1-2-4-10/h7-8,10,13H,1-6,9H2,(H,18,19,20)
InChIKeyKNBDTBCRSZVDHB-UHFFFAOYSA-N
XLogP3.81
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopentylethyl)-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole?
The IUPAC name of 5-(2-cyclopentylethyl)-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole (CID 24651926) is 5-(2-cyclopentylethyl)-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-(2-cyclopentylethyl)-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-(2-cyclopentylethyl)-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole is FC(F)n1ccnc1CSc1n[nH]c(CCC2CCCC2)n1.
What is the InChIKey of 5-(2-cyclopentylethyl)-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole?
The InChIKey is KNBDTBCRSZVDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N5S/c15-13(16)21-8-7-17-12(21)9-22-14-18-11(19-20-14)6-5-10-3-1-2-4-10/h7-8,10,13H,1-6,9H2,(H,18,19,20).
What are the key properties of 5-(2-cyclopentylethyl)-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole?
5-(2-cyclopentylethyl)-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole has a molecular weight of 327.40 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopentylethyl)-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole is sourced from PubChem (CID 24651926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).