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

C15H22N4O2S2 — CID 3055034

IUPAC4-amino-N-[5-[2-(diethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCCN(CC)CCc1cnc(NS(=O)(=O)c2ccc(N)cc2)s1
InChIInChI=1S/C15H22N4O2S2/c1-3-19(4-2)10-9-13-11-17-15(22-13)18-23(20,21)14-7-5-12(16)6-8-14/h5-8,11H,3-4,9-10,16H2,1-2H3,(H,17,18)
InChIKeyIFCJACHSHHEHIX-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.41
Rot. Bonds8

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

4-amino-N-[5-[2-(diethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 3055034) has the molecular formula C15H22N4O2S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 4-amino-N-[5-[2-(diethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[5-[2-(diethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID3055034
Molecular FormulaC15H22N4O2S2
Molecular Weight354.50 g/mol
Exact Mass354.12
IUPAC Name4-amino-N-[5-[2-(diethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCCN(CC)CCc1cnc(NS(=O)(=O)c2ccc(N)cc2)s1
InChIInChI=1S/C15H22N4O2S2/c1-3-19(4-2)10-9-13-11-17-15(22-13)18-23(20,21)14-7-5-12(16)6-8-14/h5-8,11H,3-4,9-10,16H2,1-2H3,(H,17,18)
InChIKeyIFCJACHSHHEHIX-UHFFFAOYSA-N
XLogP2.41
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.41
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 4-amino-N-[5-[2-(diethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[5-[2-(diethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide (CID 3055034) is 4-amino-N-[5-[2-(diethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[5-[2-(diethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[5-[2-(diethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide is CCN(CC)CCc1cnc(NS(=O)(=O)c2ccc(N)cc2)s1.
What is the InChIKey of 4-amino-N-[5-[2-(diethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is IFCJACHSHHEHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S2/c1-3-19(4-2)10-9-13-11-17-15(22-13)18-23(20,21)14-7-5-12(16)6-8-14/h5-8,11H,3-4,9-10,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-[5-[2-(diethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide?
4-amino-N-[5-[2-(diethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 354.50 g/mol, XLogP of 2.41, 8 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-(diethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 3055034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).