2-methylsulfanyl-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole

C11H12N2O2S2 — CID 23660996

IUPAC2-methylsulfanyl-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole
SMILESCSc1ccc(OCc2nnc(SC)o2)cc1
InChIInChI=1S/C11H12N2O2S2/c1-16-9-5-3-8(4-6-9)14-7-10-12-13-11(15-10)17-2/h3-6H,7H2,1-2H3
InChIKeyUDBMTDHUWONFSN-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.09
Rot. Bonds5

About 2-methylsulfanyl-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole

2-methylsulfanyl-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole (PubChem CID 23660996) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-methylsulfanyl-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methylsulfanyl-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole
PubChem CID23660996
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC Name2-methylsulfanyl-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole
SMILESCSc1ccc(OCc2nnc(SC)o2)cc1
InChIInChI=1S/C11H12N2O2S2/c1-16-9-5-3-8(4-6-9)14-7-10-12-13-11(15-10)17-2/h3-6H,7H2,1-2H3
InChIKeyUDBMTDHUWONFSN-UHFFFAOYSA-N
XLogP3.09
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyphenyl)-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole
CID 23660819
methyl 3,5-bis[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]benzoate
CID 137417220
2-[(4-ethylphenoxy)methyl]-5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 862325
2-[(4-methylsulfanylphenoxy)methyl]-1,3-benzoxazol-4-amine
CID 79999898
2-methyl-1-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-ol
CID 111112354
1-methylsulfanyl-4-[2-(4-methylsulfanylphenoxy)ethoxy]benzene
CID 70368066
2-(2-ethoxyethylsulfanyl)-5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 60561546
2-[(4-ethoxyphenoxy)methyl]-5-methyl-1,3,4-oxadiazole
CID 110655535
2-[(4-tert-butylphenyl)methylsulfanyl]-5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 52576949
2-[1-(3-chloro-4-fluorophenyl)ethylsulfanyl]-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole
CID 60558751
2-[(4-methoxyphenoxy)methyl]-5-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 92645296
2-(phenoxymethyl)-5-prop-2-ynylsulfanyl-1,3,4-oxadiazole
CID 5019266

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methylsulfanyl-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole (CID 23660996) is 2-methylsulfanyl-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methylsulfanyl-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methylsulfanyl-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole is CSc1ccc(OCc2nnc(SC)o2)cc1.
What is the InChIKey of 2-methylsulfanyl-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole?
The InChIKey is UDBMTDHUWONFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-16-9-5-3-8(4-6-9)14-7-10-12-13-11(15-10)17-2/h3-6H,7H2,1-2H3.
What are the key properties of 2-methylsulfanyl-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole?
2-methylsulfanyl-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole has a molecular weight of 268.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 23660996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).