2-phenyl-5-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole

C17H11N5OS2 — CID 2419145

IUPAC2-phenyl-5-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(CSc3nnc4sc5ccccc5n34)o2)cc1
InChIInChI=1S/C17H11N5OS2/c1-2-6-11(7-3-1)15-19-18-14(23-15)10-24-16-20-21-17-22(16)12-8-4-5-9-13(12)25-17/h1-9H,10H2
InChIKeyHZIDHQNDLXXAQP-UHFFFAOYSA-N
MW365.44 g/mol
LogP4.29
Rot. Bonds4

About 2-phenyl-5-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole

2-phenyl-5-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole (PubChem CID 2419145) has the molecular formula C17H11N5OS2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-phenyl-5-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole
PubChem CID2419145
Molecular FormulaC17H11N5OS2
Molecular Weight365.44 g/mol
Exact Mass365.04
IUPAC Name2-phenyl-5-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(CSc3nnc4sc5ccccc5n34)o2)cc1
InChIInChI=1S/C17H11N5OS2/c1-2-6-11(7-3-1)15-19-18-14(23-15)10-24-16-20-21-17-22(16)12-8-4-5-9-13(12)25-17/h1-9H,10H2
InChIKeyHZIDHQNDLXXAQP-UHFFFAOYSA-N
XLogP4.29
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-fluoro-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine
CID 3243386
2-(2-Bromophenyl)-5-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 2612694
Ethyl 4-[1,1'-biphenyl]-4-yl-2-{[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)acetyl]amino}-3-thiophenecarboxylate
CID 2356484
N-(6-fluorobenzo[d]thiazol-2-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine
CID 7110058
Methyl 4-(2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetamido)benzoate
CID 982883
Methyl 5-phenyl-2-(2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetamido)thiophene-3-carboxylate
CID 2383581
N-(6-(methylthio)benzo[d]thiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine
CID 8545230
Ethyl 4-(4-fluorophenyl)-2-[[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate
CID 1632470
N-(6-fluorobenzo[d]thiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine
CID 7110066
2-(4-Methylphenyl)-5-[[4-phenyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1,3,4-oxadiazole
CID 76312782
2-[3-[4-(1,3-Benzothiazol-2-yl)piperazin-1-yl]propylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 76323995
2-[3-[4-(1,3-Benzothiazol-2-yl)piperazin-1-yl]propylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 76327549

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole (CID 2419145) is 2-phenyl-5-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole is c1ccc(-c2nnc(CSc3nnc4sc5ccccc5n34)o2)cc1.
What is the InChIKey of 2-phenyl-5-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole?
The InChIKey is HZIDHQNDLXXAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5OS2/c1-2-6-11(7-3-1)15-19-18-14(23-15)10-24-16-20-21-17-22(16)12-8-4-5-9-13(12)25-17/h1-9H,10H2.
What are the key properties of 2-phenyl-5-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole?
2-phenyl-5-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole has a molecular weight of 365.44 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 2419145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).