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

C15H13N5O2S2 — CID 133444077

IUPAC3-ethyl-5-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole
SMILESCCc1nsc(Sc2nnc(-c3ccco3)n2Cc2ccco2)n1
InChIInChI=1S/C15H13N5O2S2/c1-2-12-16-15(24-19-12)23-14-18-17-13(11-6-4-8-22-11)20(14)9-10-5-3-7-21-10/h3-8H,2,9H2,1H3
InChIKeyVLMZQJDWROOIQM-UHFFFAOYSA-N
MW359.44 g/mol
LogP3.74
Rot. Bonds6

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

3-ethyl-5-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole (PubChem CID 133444077) has the molecular formula C15H13N5O2S2 and a molecular weight of 359.44 g/mol. Its IUPAC name is 3-ethyl-5-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole
PubChem CID133444077
Molecular FormulaC15H13N5O2S2
Molecular Weight359.44 g/mol
Exact Mass359.05
IUPAC Name3-ethyl-5-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole
SMILESCCc1nsc(Sc2nnc(-c3ccco3)n2Cc2ccco2)n1
InChIInChI=1S/C15H13N5O2S2/c1-2-12-16-15(24-19-12)23-14-18-17-13(11-6-4-8-22-11)20(14)9-10-5-3-7-21-10/h3-8H,2,9H2,1H3
InChIKeyVLMZQJDWROOIQM-UHFFFAOYSA-N
XLogP3.74
TPSA82.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Related Compounds

5-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-ethyl-1,2,4-thiadiazole
CID 133427381
5-[[4-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-1,2,4-thiadiazole
CID 133427270
5-[[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-propan-2-yl-1,2,4-thiadiazole
CID 133443938
3-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-6-(trifluoromethyl)pyridazine
CID 133420874
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3215039
4-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline
CID 133444072
2-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 1081740
1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 7416431
4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine
CID 133420901
3-(4-chlorophenyl)-4-(furan-2-ylmethyl)-5-methylsulfanyl-1,2,4-triazole
CID 7989436
2-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 2024115
2,3,5,6-tetrafluoro-4-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine
CID 133370869

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole (CID 133444077) is 3-ethyl-5-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole is CCc1nsc(Sc2nnc(-c3ccco3)n2Cc2ccco2)n1.
What is the InChIKey of 3-ethyl-5-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole?
The InChIKey is VLMZQJDWROOIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S2/c1-2-12-16-15(24-19-12)23-14-18-17-13(11-6-4-8-22-11)20(14)9-10-5-3-7-21-10/h3-8H,2,9H2,1H3.
What are the key properties of 3-ethyl-5-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole?
3-ethyl-5-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole has a molecular weight of 359.44 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole is sourced from PubChem (CID 133444077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).