4-amino-N-[5-[2-(dimethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;dihydrochloride

C13H20Cl2N4O2S2 — CID 3055032

IUPAC4-amino-N-[5-[2-(dimethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;dihydrochloride
SMILESCN(C)CCc1cnc(NS(=O)(=O)c2ccc(N)cc2)s1.Cl.Cl
InChIInChI=1S/C13H18N4O2S2.2ClH/c1-17(2)8-7-11-9-15-13(20-11)16-21(18,19)12-5-3-10(14)4-6-12;;/h3-6,9H,7-8,14H2,1-2H3,(H,15,16);2*1H
InChIKeyQGERZIQTYFTALS-UHFFFAOYSA-N
MW399.37 g/mol
LogP2.47
Rot. Bonds6

About 4-amino-N-[5-[2-(dimethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;dihydrochloride

4-amino-N-[5-[2-(dimethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;dihydrochloride (PubChem CID 3055032) has the molecular formula C13H20Cl2N4O2S2 and a molecular weight of 399.37 g/mol. Its IUPAC name is 4-amino-N-[5-[2-(dimethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[5-[2-(dimethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;dihydrochloride
PubChem CID3055032
Molecular FormulaC13H20Cl2N4O2S2
Molecular Weight399.37 g/mol
Exact Mass398.04
IUPAC Name4-amino-N-[5-[2-(dimethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;dihydrochloride
SMILESCN(C)CCc1cnc(NS(=O)(=O)c2ccc(N)cc2)s1.Cl.Cl
InChIInChI=1S/C13H18N4O2S2.2ClH/c1-17(2)8-7-11-9-15-13(20-11)16-21(18,19)12-5-3-10(14)4-6-12;;/h3-6,9H,7-8,14H2,1-2H3,(H,15,16);2*1H
InChIKeyQGERZIQTYFTALS-UHFFFAOYSA-N
XLogP2.47
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Sulfathiazole
CID 5340
Acetylsulfathiazole
CID 67183
Sodium sulfathiazole
CID 12285822
4-((5-Isopropyl-1,3-thiazol-2-YL)amino)benzenesulfonamide
CID 5327097
Thiazosulfone
CID 10124
2,2-dimethyl-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}propanamide
CID 503707
N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}butanamide
CID 903095
5-[[4-(Hydroxyamino)phenyl]sulfonyl]-1,3-thiazol-2-amine
CID 44564474
N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 694919
N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}-2-thiophenesulfonamide
CID 2207293
4-[(5-Chloro-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 122179676
4-Amino-N-(5-methyl-1,3-thiazol-2-YL)benzenesulfonamide
CID 16786378

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-[2-(dimethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;dihydrochloride?
The IUPAC name of 4-amino-N-[5-[2-(dimethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;dihydrochloride (CID 3055032) is 4-amino-N-[5-[2-(dimethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[5-[2-(dimethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[5-[2-(dimethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;dihydrochloride is CN(C)CCc1cnc(NS(=O)(=O)c2ccc(N)cc2)s1.Cl.Cl.
What is the InChIKey of 4-amino-N-[5-[2-(dimethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;dihydrochloride?
The InChIKey is QGERZIQTYFTALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2.2ClH/c1-17(2)8-7-11-9-15-13(20-11)16-21(18,19)12-5-3-10(14)4-6-12;;/h3-6,9H,7-8,14H2,1-2H3,(H,15,16);2*1H.
What are the key properties of 4-amino-N-[5-[2-(dimethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;dihydrochloride?
4-amino-N-[5-[2-(dimethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;dihydrochloride has a molecular weight of 399.37 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-[2-(dimethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;dihydrochloride is sourced from PubChem (CID 3055032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).