4-amino-2,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide

C14H19N3O2S2 — CID 79570352

IUPAC4-amino-2,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1csc(CCNS(=O)(=O)c2c(C)cc(N)cc2C)n1
InChIInChI=1S/C14H19N3O2S2/c1-9-6-12(15)7-10(2)14(9)21(18,19)16-5-4-13-17-11(3)8-20-13/h6-8,16H,4-5,15H2,1-3H3
InChIKeyUXDDGPGLJYBRMS-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.17
Rot. Bonds5

About 4-amino-2,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide

4-amino-2,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 79570352) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-amino-2,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID79570352
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name4-amino-2,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1csc(CCNS(=O)(=O)c2c(C)cc(N)cc2C)n1
InChIInChI=1S/C14H19N3O2S2/c1-9-6-12(15)7-10(2)14(9)21(18,19)16-5-4-13-17-11(3)8-20-13/h6-8,16H,4-5,15H2,1-3H3
InChIKeyUXDDGPGLJYBRMS-UHFFFAOYSA-N
XLogP2.17
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110739236
2-amino-6-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 62058190
4-amino-2-bromo-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 63238661
2,5-dibromo-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 81434950
3-amino-5-chloro-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 62057704
3-amino-2-bromo-5-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 63239008
4-amino-2,6-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79588588
4-amino-2,6-dimethyl-N-propylbenzenesulfonamide
CID 79588837
4-amino-2,6-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79588681
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 47371845
4-amino-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 61126624
4-(aminomethyl)-2-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 79179862

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide (CID 79570352) is 4-amino-2,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide is Cc1csc(CCNS(=O)(=O)c2c(C)cc(N)cc2C)n1.
What is the InChIKey of 4-amino-2,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is UXDDGPGLJYBRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-9-6-12(15)7-10(2)14(9)21(18,19)16-5-4-13-17-11(3)8-20-13/h6-8,16H,4-5,15H2,1-3H3.
What are the key properties of 4-amino-2,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
4-amino-2,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 79570352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).