5-(4-methylphenyl)sulfonyl-1,3,4-thiadiazol-2-amine

C9H9N3O2S2 — CID 10634769

IUPAC5-(4-methylphenyl)sulfonyl-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(S(=O)(=O)c2nnc(N)s2)cc1
InChIInChI=1S/C9H9N3O2S2/c1-6-2-4-7(5-3-6)16(13,14)9-12-11-8(10)15-9/h2-5H,1H3,(H2,10,11)
InChIKeyNHIVGOQALYTKLP-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.26
Rot. Bonds2

About 5-(4-methylphenyl)sulfonyl-1,3,4-thiadiazol-2-amine

5-(4-methylphenyl)sulfonyl-1,3,4-thiadiazol-2-amine (PubChem CID 10634769) has the molecular formula C9H9N3O2S2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-(4-methylphenyl)sulfonyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-methylphenyl)sulfonyl-1,3,4-thiadiazol-2-amine
PubChem CID10634769
Molecular FormulaC9H9N3O2S2
Molecular Weight255.32 g/mol
Exact Mass255.01
IUPAC Name5-(4-methylphenyl)sulfonyl-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(S(=O)(=O)c2nnc(N)s2)cc1
InChIInChI=1S/C9H9N3O2S2/c1-6-2-4-7(5-3-6)16(13,14)9-12-11-8(10)15-9/h2-5H,1H3,(H2,10,11)
InChIKeyNHIVGOQALYTKLP-UHFFFAOYSA-N
XLogP1.26
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)sulfonyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-methylphenyl)sulfonyl-1,3,4-thiadiazol-2-amine (CID 10634769) is 5-(4-methylphenyl)sulfonyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-methylphenyl)sulfonyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-methylphenyl)sulfonyl-1,3,4-thiadiazol-2-amine is Cc1ccc(S(=O)(=O)c2nnc(N)s2)cc1.
What is the InChIKey of 5-(4-methylphenyl)sulfonyl-1,3,4-thiadiazol-2-amine?
The InChIKey is NHIVGOQALYTKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S2/c1-6-2-4-7(5-3-6)16(13,14)9-12-11-8(10)15-9/h2-5H,1H3,(H2,10,11).
What are the key properties of 5-(4-methylphenyl)sulfonyl-1,3,4-thiadiazol-2-amine?
5-(4-methylphenyl)sulfonyl-1,3,4-thiadiazol-2-amine has a molecular weight of 255.32 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)sulfonyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 10634769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).