5-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine

C17H21N5O2S2 — CID 55574247

IUPAC5-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESCCCCc1noc(C(C)Sc2nnc(Nc3ccc(OC)cc3)s2)n1
InChIInChI=1S/C17H21N5O2S2/c1-4-5-6-14-19-15(24-22-14)11(2)25-17-21-20-16(26-17)18-12-7-9-13(23-3)10-8-12/h7-11H,4-6H2,1-3H3,(H,18,20)
InChIKeyAHBADYWNPVKZSV-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.87
Rot. Bonds9

About 5-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine

5-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 55574247) has the molecular formula C17H21N5O2S2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 5-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID55574247
Molecular FormulaC17H21N5O2S2
Molecular Weight391.52 g/mol
Exact Mass391.11
IUPAC Name5-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESCCCCc1noc(C(C)Sc2nnc(Nc3ccc(OC)cc3)s2)n1
InChIInChI=1S/C17H21N5O2S2/c1-4-5-6-14-19-15(24-22-14)11(2)25-17-21-20-16(26-17)18-12-7-9-13(23-3)10-8-12/h7-11H,4-6H2,1-3H3,(H,18,20)
InChIKeyAHBADYWNPVKZSV-UHFFFAOYSA-N
XLogP4.87
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-amine
CID 46567554
N-(3,4-dimethylphenyl)-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 46567667
5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 60513606
N-(3,4-dimethylphenyl)-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 46567666
5-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 134052428
(2R)-1-(4-ethoxyphenyl)-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one
CID 7863696
1-(4-ethylphenyl)-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one
CID 3895971
5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 133425544
N-(4-methoxyphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 7778756
N-butyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2617357
N-(4-methoxyphenyl)-5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 7863691
4-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanenitrile
CID 7863581

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine (CID 55574247) is 5-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine is CCCCc1noc(C(C)Sc2nnc(Nc3ccc(OC)cc3)s2)n1.
What is the InChIKey of 5-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is AHBADYWNPVKZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S2/c1-4-5-6-14-19-15(24-22-14)11(2)25-17-21-20-16(26-17)18-12-7-9-13(23-3)10-8-12/h7-11H,4-6H2,1-3H3,(H,18,20).
What are the key properties of 5-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine?
5-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 391.52 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 55574247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).