2-(furan-2-yl)-5-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole

C17H13N5O2S2 — CID 42885759

IUPAC2-(furan-2-yl)-5-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc3n2C(CSc2nnc(-c4ccco4)o2)CS3)cc1
InChIInChI=1S/C17H13N5O2S2/c1-2-5-11(6-3-1)14-18-20-16-22(14)12(9-25-16)10-26-17-21-19-15(24-17)13-7-4-8-23-13/h1-8,12H,9-10H2
InChIKeyQCTDGBREIYXSEI-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.03
Rot. Bonds5

About 2-(furan-2-yl)-5-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole

2-(furan-2-yl)-5-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 42885759) has the molecular formula C17H13N5O2S2 and a molecular weight of 383.46 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
PubChem CID42885759
Molecular FormulaC17H13N5O2S2
Molecular Weight383.46 g/mol
Exact Mass383.05
IUPAC Name2-(furan-2-yl)-5-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc3n2C(CSc2nnc(-c4ccco4)o2)CS3)cc1
InChIInChI=1S/C17H13N5O2S2/c1-2-5-11(6-3-1)14-18-20-16-22(14)12(9-25-16)10-26-17-21-19-15(24-17)13-7-4-8-23-13/h1-8,12H,9-10H2
InChIKeyQCTDGBREIYXSEI-UHFFFAOYSA-N
XLogP4.03
TPSA82.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-(furan-2-yl)-5-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(furan-2-yl)-5-[[(5R)-3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 33279090
2-(furan-2-yl)-5-[[(5S)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 33279095
2-(furan-2-yl)-5-(oxiran-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 134066521
1-(4-benzylpiperazin-1-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 8663343
(5S)-5-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 33275200
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 829031
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 7808660
N-(cyclohexylmethyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4782802
1-(2,4-dihydroxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 2084970
2-(furan-2-yl)-5-(phenanthridin-6-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 18197019
ethyl 2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 3388435
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 861905

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(furan-2-yl)-5-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole (CID 42885759) is 2-(furan-2-yl)-5-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(furan-2-yl)-5-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(furan-2-yl)-5-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole is c1ccc(-c2nnc3n2C(CSc2nnc(-c4ccco4)o2)CS3)cc1.
What is the InChIKey of 2-(furan-2-yl)-5-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is QCTDGBREIYXSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2S2/c1-2-5-11(6-3-1)14-18-20-16-22(14)12(9-25-16)10-26-17-21-19-15(24-17)13-7-4-8-23-13/h1-8,12H,9-10H2.
What are the key properties of 2-(furan-2-yl)-5-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole?
2-(furan-2-yl)-5-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 383.46 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 42885759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).