2-amino-4-[2-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide

C11H14N4O2S2 — CID 79466616

IUPAC2-amino-4-[2-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide
SMILESNc1cc(NCCc2nccs2)ccc1S(N)(=O)=O
InChIInChI=1S/C11H14N4O2S2/c12-9-7-8(1-2-10(9)19(13,16)17)14-4-3-11-15-5-6-18-11/h1-2,5-7,14H,3-4,12H2,(H2,13,16,17)
InChIKeyHXPGEKGPZYSGDZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.03
Rot. Bonds5

About 2-amino-4-[2-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide

2-amino-4-[2-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide (PubChem CID 79466616) has the molecular formula C11H14N4O2S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-amino-4-[2-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-[2-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide
PubChem CID79466616
Molecular FormulaC11H14N4O2S2
Molecular Weight298.39 g/mol
Exact Mass298.06
IUPAC Name2-amino-4-[2-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide
SMILESNc1cc(NCCc2nccs2)ccc1S(N)(=O)=O
InChIInChI=1S/C11H14N4O2S2/c12-9-7-8(1-2-10(9)19(13,16)17)14-4-3-11-15-5-6-18-11/h1-2,5-7,14H,3-4,12H2,(H2,13,16,17)
InChIKeyHXPGEKGPZYSGDZ-UHFFFAOYSA-N
XLogP1.03
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2,4-triamine
CID 106750805
2-amino-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide
CID 80680984
2-amino-4-(2-hydroxyethylamino)benzenesulfonamide
CID 79467584
2-propoxy-4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine
CID 55232166
2-amino-4-(2-methoxyethylamino)benzenesulfonamide
CID 79467385
2-amino-4-(ethylamino)benzenesulfonamide
CID 79466329
2-amino-4-(thiophen-2-ylmethylamino)benzenesulfonamide
CID 79466591
2-fluoro-5-[2-(1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 82539161
2-amino-4-(2,2,2-trifluoroethylamino)benzenesulfonamide
CID 79467392
2-amino-4-(2-phenoxyethylamino)benzenesulfonamide
CID 79466327
2-nitro-5-[2-(1,3-thiazol-2-yl)ethylamino]benzonitrile
CID 115500322
5-amino-2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 63238752

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide?
The IUPAC name of 2-amino-4-[2-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide (CID 79466616) is 2-amino-4-[2-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-[2-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide?
The canonical SMILES for 2-amino-4-[2-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide is Nc1cc(NCCc2nccs2)ccc1S(N)(=O)=O.
What is the InChIKey of 2-amino-4-[2-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide?
The InChIKey is HXPGEKGPZYSGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S2/c12-9-7-8(1-2-10(9)19(13,16)17)14-4-3-11-15-5-6-18-11/h1-2,5-7,14H,3-4,12H2,(H2,13,16,17).
What are the key properties of 2-amino-4-[2-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide?
2-amino-4-[2-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide has a molecular weight of 298.39 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 79466616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).