2-methyl-5-[(4-propan-2-ylsulfanylphenyl)methylsulfanylmethyl]-1,3,4-oxadiazole

C14H18N2OS2 — CID 75484245

IUPAC2-methyl-5-[(4-propan-2-ylsulfanylphenyl)methylsulfanylmethyl]-1,3,4-oxadiazole
SMILESCc1nnc(CSCc2ccc(SC(C)C)cc2)o1
InChIInChI=1S/C14H18N2OS2/c1-10(2)19-13-6-4-12(5-7-13)8-18-9-14-16-15-11(3)17-14/h4-7,10H,8-9H2,1-3H3
InChIKeyOELQVGUPCBUNEJ-UHFFFAOYSA-N
MW294.45 g/mol
LogP4.31
Rot. Bonds6

About 2-methyl-5-[(4-propan-2-ylsulfanylphenyl)methylsulfanylmethyl]-1,3,4-oxadiazole

2-methyl-5-[(4-propan-2-ylsulfanylphenyl)methylsulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 75484245) has the molecular formula C14H18N2OS2 and a molecular weight of 294.45 g/mol. Its IUPAC name is 2-methyl-5-[(4-propan-2-ylsulfanylphenyl)methylsulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[(4-propan-2-ylsulfanylphenyl)methylsulfanylmethyl]-1,3,4-oxadiazole
PubChem CID75484245
Molecular FormulaC14H18N2OS2
Molecular Weight294.45 g/mol
Exact Mass294.09
IUPAC Name2-methyl-5-[(4-propan-2-ylsulfanylphenyl)methylsulfanylmethyl]-1,3,4-oxadiazole
SMILESCc1nnc(CSCc2ccc(SC(C)C)cc2)o1
InChIInChI=1S/C14H18N2OS2/c1-10(2)19-13-6-4-12(5-7-13)8-18-9-14-16-15-11(3)17-14/h4-7,10H,8-9H2,1-3H3
InChIKeyOELQVGUPCBUNEJ-UHFFFAOYSA-N
XLogP4.31
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-propan-2-ylsulfanylphenyl)methylsulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[(4-propan-2-ylsulfanylphenyl)methylsulfanylmethyl]-1,3,4-oxadiazole (CID 75484245) is 2-methyl-5-[(4-propan-2-ylsulfanylphenyl)methylsulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[(4-propan-2-ylsulfanylphenyl)methylsulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[(4-propan-2-ylsulfanylphenyl)methylsulfanylmethyl]-1,3,4-oxadiazole is Cc1nnc(CSCc2ccc(SC(C)C)cc2)o1.
What is the InChIKey of 2-methyl-5-[(4-propan-2-ylsulfanylphenyl)methylsulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is OELQVGUPCBUNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS2/c1-10(2)19-13-6-4-12(5-7-13)8-18-9-14-16-15-11(3)17-14/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 2-methyl-5-[(4-propan-2-ylsulfanylphenyl)methylsulfanylmethyl]-1,3,4-oxadiazole?
2-methyl-5-[(4-propan-2-ylsulfanylphenyl)methylsulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 294.45 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-propan-2-ylsulfanylphenyl)methylsulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 75484245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).