5-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-ethyl-1,2,4-thiadiazole

C17H15N5OS2 — CID 133427381

IUPAC5-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(Sc2nnc(-c3ccco3)n2Cc2ccccc2)n1
InChIInChI=1S/C17H15N5OS2/c1-2-14-18-17(25-21-14)24-16-20-19-15(13-9-6-10-23-13)22(16)11-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3
InChIKeyDMEVSMLMKUCZMZ-UHFFFAOYSA-N
MW369.48 g/mol
LogP4.15
Rot. Bonds6

About 5-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-ethyl-1,2,4-thiadiazole

5-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-ethyl-1,2,4-thiadiazole (PubChem CID 133427381) has the molecular formula C17H15N5OS2 and a molecular weight of 369.48 g/mol. Its IUPAC name is 5-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-ethyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-ethyl-1,2,4-thiadiazole
PubChem CID133427381
Molecular FormulaC17H15N5OS2
Molecular Weight369.48 g/mol
Exact Mass369.07
IUPAC Name5-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(Sc2nnc(-c3ccco3)n2Cc2ccccc2)n1
InChIInChI=1S/C17H15N5OS2/c1-2-14-18-17(25-21-14)24-16-20-19-15(13-9-6-10-23-13)22(16)11-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3
InChIKeyDMEVSMLMKUCZMZ-UHFFFAOYSA-N
XLogP4.15
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-ethyl-1,2,4-thiadiazole with MolForge

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Related Compounds

3-ethyl-5-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole
CID 133444077
3-ethyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole
CID 133426983
3-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-tert-butyl-1,2,4-oxadiazole
CID 35355768
3-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile
CID 4800069
4-[2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine
CID 17417087
2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide
CID 2586100
2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-butan-2-yl]acetamide
CID 2703782
propan-2-yl 2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 23913696
(2R)-4-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanenitrile
CID 41082353
5-[[4-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-1,2,4-thiadiazole
CID 133427270
2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 38827055
4-benzyl-3-(furan-2-yl)-5-[[(2R)-oxan-2-yl]methylsulfanyl]-1,2,4-triazole
CID 8010324

Frequently Asked Questions

What is the IUPAC name of 5-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-ethyl-1,2,4-thiadiazole?
The IUPAC name of 5-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-ethyl-1,2,4-thiadiazole (CID 133427381) is 5-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-ethyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-ethyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-ethyl-1,2,4-thiadiazole is CCc1nsc(Sc2nnc(-c3ccco3)n2Cc2ccccc2)n1.
What is the InChIKey of 5-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-ethyl-1,2,4-thiadiazole?
The InChIKey is DMEVSMLMKUCZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS2/c1-2-14-18-17(25-21-14)24-16-20-19-15(13-9-6-10-23-13)22(16)11-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3.
What are the key properties of 5-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-ethyl-1,2,4-thiadiazole?
5-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-ethyl-1,2,4-thiadiazole has a molecular weight of 369.48 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-ethyl-1,2,4-thiadiazole is sourced from PubChem (CID 133427381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).