2-ethyl-5-[[2-(2-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methylsulfanyl]-1,3,4-oxadiazole

C16H20N6OS — CID 50949907

IUPAC2-ethyl-5-[[2-(2-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methylsulfanyl]-1,3,4-oxadiazole
SMILESCCc1nnc(SCc2nc(C(C)C)nn2-c2ccnc(C)c2)o1
InChIInChI=1S/C16H20N6OS/c1-5-14-19-20-16(23-14)24-9-13-18-15(10(2)3)21-22(13)12-6-7-17-11(4)8-12/h6-8,10H,5,9H2,1-4H3
InChIKeyZPLHATAHGXHWLL-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.33
Rot. Bonds6

About 2-ethyl-5-[[2-(2-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methylsulfanyl]-1,3,4-oxadiazole

2-ethyl-5-[[2-(2-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 50949907) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-ethyl-5-[[2-(2-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[[2-(2-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methylsulfanyl]-1,3,4-oxadiazole
PubChem CID50949907
Molecular FormulaC16H20N6OS
Molecular Weight344.44 g/mol
Exact Mass344.14
IUPAC Name2-ethyl-5-[[2-(2-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methylsulfanyl]-1,3,4-oxadiazole
SMILESCCc1nnc(SCc2nc(C(C)C)nn2-c2ccnc(C)c2)o1
InChIInChI=1S/C16H20N6OS/c1-5-14-19-20-16(23-14)24-9-13-18-15(10(2)3)21-22(13)12-6-7-17-11(4)8-12/h6-8,10H,5,9H2,1-4H3
InChIKeyZPLHATAHGXHWLL-UHFFFAOYSA-N
XLogP3.33
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-ethyl-5-[[2-(2-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methylsulfanyl]-1,3,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

2-benzylsulfanyl-5-ethyl-1,3,4-oxadiazole
CID 8708192
2-ethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 99825795
2-ethyl-5-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 18130665
4-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoate
CID 8708400
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile
CID 6463128
[5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102630416
N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 55059314
2-[(5-chloro-1-methylbenzimidazol-2-yl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole
CID 47045906
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-4-ylacetamide
CID 4044910
2-[2-(4-methylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]acetic acid
CID 82483970
2-[(2R)-butan-2-yl]sulfanyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 1018090
[2-(4-tert-butylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine
CID 96668709

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[[2-(2-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[[2-(2-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methylsulfanyl]-1,3,4-oxadiazole (CID 50949907) is 2-ethyl-5-[[2-(2-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[[2-(2-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[[2-(2-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methylsulfanyl]-1,3,4-oxadiazole is CCc1nnc(SCc2nc(C(C)C)nn2-c2ccnc(C)c2)o1.
What is the InChIKey of 2-ethyl-5-[[2-(2-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is ZPLHATAHGXHWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6OS/c1-5-14-19-20-16(23-14)24-9-13-18-15(10(2)3)21-22(13)12-6-7-17-11(4)8-12/h6-8,10H,5,9H2,1-4H3.
What are the key properties of 2-ethyl-5-[[2-(2-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methylsulfanyl]-1,3,4-oxadiazole?
2-ethyl-5-[[2-(2-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 344.44 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[[2-(2-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 50949907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).