5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide

C13H17N3O2S2 — CID 61464070

IUPAC5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2nc(C)c(C)s2)c1C
InChIInChI=1S/C13H17N3O2S2/c1-7-5-11(14)6-12(8(7)2)20(17,18)16-13-15-9(3)10(4)19-13/h5-6H,14H2,1-4H3,(H,15,16)
InChIKeySWQDOKJCAFUYEE-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.76
Rot. Bonds3

About 5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide

5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide (PubChem CID 61464070) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide
PubChem CID61464070
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2nc(C)c(C)s2)c1C
InChIInChI=1S/C13H17N3O2S2/c1-7-5-11(14)6-12(8(7)2)20(17,18)16-13-15-9(3)10(4)19-13/h5-6H,14H2,1-4H3,(H,15,16)
InChIKeySWQDOKJCAFUYEE-UHFFFAOYSA-N
XLogP2.76
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.76
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

5-amino-3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide
CID 61464277
5-amino-2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61463931
5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-indole-3-sulfonamide
CID 64851872
5-amino-2,3-dimethyl-N-pyridin-4-ylbenzenesulfonamide
CID 29040045
3-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide
CID 115993561
4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide
CID 60675416
5-amino-2,3-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 29288655
5-amino-2,3-dimethyl-N-thiophen-3-ylbenzenesulfonamide
CID 66351008
5-amino-2,3-dimethyl-N-pyrazin-2-ylbenzenesulfonamide
CID 43616062
3-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-2-sulfonamide
CID 103305618
4-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]-3-fluorobenzoic acid
CID 79177691
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 106054763

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide (CID 61464070) is 5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)Nc2nc(C)c(C)s2)c1C.
What is the InChIKey of 5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide?
The InChIKey is SWQDOKJCAFUYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-7-5-11(14)6-12(8(7)2)20(17,18)16-13-15-9(3)10(4)19-13/h5-6H,14H2,1-4H3,(H,15,16).
What are the key properties of 5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide?
5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide has a molecular weight of 311.43 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 61464070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).