5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine

C11H13N3O2S2 — CID 749781

IUPAC5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(S(=O)(=O)CCc2nnc(N)s2)cc1
InChIInChI=1S/C11H13N3O2S2/c1-8-2-4-9(5-3-8)18(15,16)7-6-10-13-14-11(12)17-10/h2-5H,6-7H2,1H3,(H2,12,14)
InChIKeyCFYGMOYWXOCYTD-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.45
Rot. Bonds4

About 5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine

5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 749781) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine
PubChem CID749781
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC Name5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(S(=O)(=O)CCc2nnc(N)s2)cc1
InChIInChI=1S/C11H13N3O2S2/c1-8-2-4-9(5-3-8)18(15,16)7-6-10-13-14-11(12)17-10/h2-5H,6-7H2,1H3,(H2,12,14)
InChIKeyCFYGMOYWXOCYTD-UHFFFAOYSA-N
XLogP1.45
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine (CID 749781) is 5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine is Cc1ccc(S(=O)(=O)CCc2nnc(N)s2)cc1.
What is the InChIKey of 5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is CFYGMOYWXOCYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-8-2-4-9(5-3-8)18(15,16)7-6-10-13-14-11(12)17-10/h2-5H,6-7H2,1H3,(H2,12,14).
What are the key properties of 5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine?
5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 283.38 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 749781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).