5-(4-aminophenyl)sulfonyl-1,3-thiazol-2-amine

C9H9N3O2S2 — CID 10124

IUPAC5-(4-aminophenyl)sulfonyl-1,3-thiazol-2-amine
SMILESNc1ccc(S(=O)(=O)c2cnc(N)s2)cc1
InChIInChI=1S/C9H9N3O2S2/c10-6-1-3-7(4-2-6)16(13,14)8-5-12-9(11)15-8/h1-5H,10H2,(H2,11,12)
InChIKeyKVEZIRCKNOTGKY-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.14
Rot. Bonds2

About 5-(4-aminophenyl)sulfonyl-1,3-thiazol-2-amine

5-(4-aminophenyl)sulfonyl-1,3-thiazol-2-amine (PubChem CID 10124) has the molecular formula C9H9N3O2S2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-(4-aminophenyl)sulfonyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-aminophenyl)sulfonyl-1,3-thiazol-2-amine
PubChem CID10124
Molecular FormulaC9H9N3O2S2
Molecular Weight255.32 g/mol
Exact Mass255.01
IUPAC Name5-(4-aminophenyl)sulfonyl-1,3-thiazol-2-amine
SMILESNc1ccc(S(=O)(=O)c2cnc(N)s2)cc1
InChIInChI=1S/C9H9N3O2S2/c10-6-1-3-7(4-2-6)16(13,14)8-5-12-9(11)15-8/h1-5H,10H2,(H2,11,12)
InChIKeyKVEZIRCKNOTGKY-UHFFFAOYSA-N
XLogP1.14
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)sulfonyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-aminophenyl)sulfonyl-1,3-thiazol-2-amine (CID 10124) is 5-(4-aminophenyl)sulfonyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-aminophenyl)sulfonyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-aminophenyl)sulfonyl-1,3-thiazol-2-amine is Nc1ccc(S(=O)(=O)c2cnc(N)s2)cc1.
What is the InChIKey of 5-(4-aminophenyl)sulfonyl-1,3-thiazol-2-amine?
The InChIKey is KVEZIRCKNOTGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S2/c10-6-1-3-7(4-2-6)16(13,14)8-5-12-9(11)15-8/h1-5H,10H2,(H2,11,12).
What are the key properties of 5-(4-aminophenyl)sulfonyl-1,3-thiazol-2-amine?
5-(4-aminophenyl)sulfonyl-1,3-thiazol-2-amine has a molecular weight of 255.32 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)sulfonyl-1,3-thiazol-2-amine is sourced from PubChem (CID 10124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).