5-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzenesulfonamide

C13H17N3O3S2 — CID 61472007

IUPAC5-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzenesulfonamide
SMILESCCc1nc(NS(=O)(=O)c2cc(N)ccc2OC)sc1C
InChIInChI=1S/C13H17N3O3S2/c1-4-10-8(2)20-13(15-10)16-21(17,18)12-7-9(14)5-6-11(12)19-3/h5-7H,4,14H2,1-3H3,(H,15,16)
InChIKeyTZNAUTIZWKQDRW-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.41
Rot. Bonds5

About 5-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzenesulfonamide

5-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzenesulfonamide (PubChem CID 61472007) has the molecular formula C13H17N3O3S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 5-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzenesulfonamide
PubChem CID61472007
Molecular FormulaC13H17N3O3S2
Molecular Weight327.43 g/mol
Exact Mass327.07
IUPAC Name5-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzenesulfonamide
SMILESCCc1nc(NS(=O)(=O)c2cc(N)ccc2OC)sc1C
InChIInChI=1S/C13H17N3O3S2/c1-4-10-8(2)20-13(15-10)16-21(17,18)12-7-9(14)5-6-11(12)19-3/h5-7H,4,14H2,1-3H3,(H,15,16)
InChIKeyTZNAUTIZWKQDRW-UHFFFAOYSA-N
XLogP2.41
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
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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Related Compounds

5-amino-2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61471894
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzenesulfonamide
CID 61472090
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 55843447
2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 106019045
2-amino-5-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide
CID 106491632
5-(aminomethyl)-2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide
CID 106019046
5-amino-2-methoxy-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587497
5-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 61477600
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide
CID 61471934
5-amino-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide
CID 29267050
5-amino-2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61463931
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide
CID 61068278

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzenesulfonamide (CID 61472007) is 5-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzenesulfonamide is CCc1nc(NS(=O)(=O)c2cc(N)ccc2OC)sc1C.
What is the InChIKey of 5-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzenesulfonamide?
The InChIKey is TZNAUTIZWKQDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S2/c1-4-10-8(2)20-13(15-10)16-21(17,18)12-7-9(14)5-6-11(12)19-3/h5-7H,4,14H2,1-3H3,(H,15,16).
What are the key properties of 5-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzenesulfonamide?
5-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzenesulfonamide has a molecular weight of 327.43 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 61472007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).