5-(2-methoxyethylsulfonyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-3-amine

C12H15N3O4S2 — CID 15982637

IUPAC5-(2-methoxyethylsulfonyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-3-amine
SMILESCOCCS(=O)(=O)c1nc(Nc2ccc(OC)cc2)ns1
InChIInChI=1S/C12H15N3O4S2/c1-18-7-8-21(16,17)12-14-11(15-20-12)13-9-3-5-10(19-2)6-4-9/h3-6H,7-8H2,1-2H3,(H,13,15)
InChIKeyIBYVPJUBVKQESS-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.71
Rot. Bonds7

About 5-(2-methoxyethylsulfonyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-3-amine

5-(2-methoxyethylsulfonyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-3-amine (PubChem CID 15982637) has the molecular formula C12H15N3O4S2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-(2-methoxyethylsulfonyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(2-methoxyethylsulfonyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-3-amine
PubChem CID15982637
Molecular FormulaC12H15N3O4S2
Molecular Weight329.40 g/mol
Exact Mass329.05
IUPAC Name5-(2-methoxyethylsulfonyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-3-amine
SMILESCOCCS(=O)(=O)c1nc(Nc2ccc(OC)cc2)ns1
InChIInChI=1S/C12H15N3O4S2/c1-18-7-8-21(16,17)12-14-11(15-20-12)13-9-3-5-10(19-2)6-4-9/h3-6H,7-8H2,1-2H3,(H,13,15)
InChIKeyIBYVPJUBVKQESS-UHFFFAOYSA-N
XLogP1.71
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylsulfonyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(2-methoxyethylsulfonyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-3-amine (CID 15982637) is 5-(2-methoxyethylsulfonyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(2-methoxyethylsulfonyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(2-methoxyethylsulfonyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-3-amine is COCCS(=O)(=O)c1nc(Nc2ccc(OC)cc2)ns1.
What is the InChIKey of 5-(2-methoxyethylsulfonyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-3-amine?
The InChIKey is IBYVPJUBVKQESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S2/c1-18-7-8-21(16,17)12-14-11(15-20-12)13-9-3-5-10(19-2)6-4-9/h3-6H,7-8H2,1-2H3,(H,13,15).
What are the key properties of 5-(2-methoxyethylsulfonyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-3-amine?
5-(2-methoxyethylsulfonyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-3-amine has a molecular weight of 329.40 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylsulfonyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 15982637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).