N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethoxybenzenesulfonamide

C12H15N3O3S2 — CID 110718117

IUPACN-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2csc(N)n2)cc1
InChIInChI=1S/C12H15N3O3S2/c1-2-18-10-3-5-11(6-4-10)20(16,17)14-7-9-8-19-12(13)15-9/h3-6,8,14H,2,7H2,1H3,(H2,13,15)
InChIKeyWAOWVFGTKXJAAW-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.60
Rot. Bonds6

About N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethoxybenzenesulfonamide

N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethoxybenzenesulfonamide (PubChem CID 110718117) has the molecular formula C12H15N3O3S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethoxybenzenesulfonamide
PubChem CID110718117
Molecular FormulaC12H15N3O3S2
Molecular Weight313.40 g/mol
Exact Mass313.06
IUPAC NameN-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2csc(N)n2)cc1
InChIInChI=1S/C12H15N3O3S2/c1-2-18-10-3-5-11(6-4-10)20(16,17)14-7-9-8-19-12(13)15-9/h3-6,8,14H,2,7H2,1H3,(H2,13,15)
InChIKeyWAOWVFGTKXJAAW-UHFFFAOYSA-N
XLogP1.60
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-butoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 3245366
4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide
CID 23603672
4-(4-ethoxyphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 51169949
N-[(4-aminophenyl)methyl]-4-ethoxybenzenesulfonamide
CID 39439996
4-ethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122263634
4-ethoxy-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
CID 110368685
4-ethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 86839268
4-ethoxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzenesulfonamide
CID 108782450
4-[(4-ethoxyphenyl)sulfonylmethyl]-2-methyl-1,3-thiazole
CID 47822854
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-ethoxybenzenesulfonamide
CID 108783775
ethyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoate
CID 47044569
N-[(2-amino-1,3-thiazol-4-yl)methyl]-1-propylpyrazole-4-sulfonamide
CID 131919365

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethoxybenzenesulfonamide?
The IUPAC name of N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethoxybenzenesulfonamide (CID 110718117) is N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2csc(N)n2)cc1.
What is the InChIKey of N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethoxybenzenesulfonamide?
The InChIKey is WAOWVFGTKXJAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S2/c1-2-18-10-3-5-11(6-4-10)20(16,17)14-7-9-8-19-12(13)15-9/h3-6,8,14H,2,7H2,1H3,(H2,13,15).
What are the key properties of N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethoxybenzenesulfonamide?
N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethoxybenzenesulfonamide has a molecular weight of 313.40 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 110718117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).