4-(6-methyl-1,3-benzothiazol-2-yl)-N-(propylsulfamoyl)aniline

C17H19N3O2S2 — CID 110620092

IUPAC4-(6-methyl-1,3-benzothiazol-2-yl)-N-(propylsulfamoyl)aniline
SMILESCCCNS(=O)(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1
InChIInChI=1S/C17H19N3O2S2/c1-3-10-18-24(21,22)20-14-7-5-13(6-8-14)17-19-15-9-4-12(2)11-16(15)23-17/h4-9,11,18,20H,3,10H2,1-2H3
InChIKeyRMMOSWBCHVCDCA-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.93
Rot. Bonds6

About 4-(6-methyl-1,3-benzothiazol-2-yl)-N-(propylsulfamoyl)aniline

4-(6-methyl-1,3-benzothiazol-2-yl)-N-(propylsulfamoyl)aniline (PubChem CID 110620092) has the molecular formula C17H19N3O2S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-(6-methyl-1,3-benzothiazol-2-yl)-N-(propylsulfamoyl)aniline.

Molecular Properties

Compound Name4-(6-methyl-1,3-benzothiazol-2-yl)-N-(propylsulfamoyl)aniline
PubChem CID110620092
Molecular FormulaC17H19N3O2S2
Molecular Weight361.49 g/mol
Exact Mass361.09
IUPAC Name4-(6-methyl-1,3-benzothiazol-2-yl)-N-(propylsulfamoyl)aniline
SMILESCCCNS(=O)(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1
InChIInChI=1S/C17H19N3O2S2/c1-3-10-18-24(21,22)20-14-7-5-13(6-8-14)17-19-15-9-4-12(2)11-16(15)23-17/h4-9,11,18,20H,3,10H2,1-2H3
InChIKeyRMMOSWBCHVCDCA-UHFFFAOYSA-N
XLogP3.93
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[6-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]phenyl]methanesulfonamide
CID 164804574
2-iodo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 5155423
1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-methylphenyl)urea
CID 19165577
4-acetyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 46392649
3,4-dimethoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 2821932
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 46392642
N-ethyl-N'-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxamide
CID 108521482
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-methylsulfonylpropanamide
CID 110620089
4-(tert-butylsulfonylamino)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 20630338
3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 46392639
4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-4-oxo-2-(propylamino)butanoic acid
CID 66491304
4-methoxy-2,3,6-trimethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 3797487

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-1,3-benzothiazol-2-yl)-N-(propylsulfamoyl)aniline?
The IUPAC name of 4-(6-methyl-1,3-benzothiazol-2-yl)-N-(propylsulfamoyl)aniline (CID 110620092) is 4-(6-methyl-1,3-benzothiazol-2-yl)-N-(propylsulfamoyl)aniline.
What is the SMILES notation for 4-(6-methyl-1,3-benzothiazol-2-yl)-N-(propylsulfamoyl)aniline?
The canonical SMILES for 4-(6-methyl-1,3-benzothiazol-2-yl)-N-(propylsulfamoyl)aniline is CCCNS(=O)(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1.
What is the InChIKey of 4-(6-methyl-1,3-benzothiazol-2-yl)-N-(propylsulfamoyl)aniline?
The InChIKey is RMMOSWBCHVCDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S2/c1-3-10-18-24(21,22)20-14-7-5-13(6-8-14)17-19-15-9-4-12(2)11-16(15)23-17/h4-9,11,18,20H,3,10H2,1-2H3.
What are the key properties of 4-(6-methyl-1,3-benzothiazol-2-yl)-N-(propylsulfamoyl)aniline?
4-(6-methyl-1,3-benzothiazol-2-yl)-N-(propylsulfamoyl)aniline has a molecular weight of 361.49 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-1,3-benzothiazol-2-yl)-N-(propylsulfamoyl)aniline is sourced from PubChem (CID 110620092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).