N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide

C14H13N3O3S3 — CID 2954087

IUPACN-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3cccs3)sc2c1
InChIInChI=1S/C14H13N3O3S3/c1-17(2)23(19,20)9-5-6-10-12(8-9)22-14(15-10)16-13(18)11-4-3-7-21-11/h3-8H,1-2H3,(H,15,16,18)
InChIKeyGBTHDCJMNYIKOS-UHFFFAOYSA-N
MW367.48 g/mol
LogP2.86
Rot. Bonds4

About N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide

N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide (PubChem CID 2954087) has the molecular formula C14H13N3O3S3 and a molecular weight of 367.48 g/mol. Its IUPAC name is N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide
PubChem CID2954087
Molecular FormulaC14H13N3O3S3
Molecular Weight367.48 g/mol
Exact Mass367.01
IUPAC NameN-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3cccs3)sc2c1
InChIInChI=1S/C14H13N3O3S3/c1-17(2)23(19,20)9-5-6-10-12(8-9)22-14(15-10)16-13(18)11-4-3-7-21-11/h3-8H,1-2H3,(H,15,16,18)
InChIKeyGBTHDCJMNYIKOS-UHFFFAOYSA-N
XLogP2.86
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 670282
N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 953485
N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide
CID 1225609
N-(6-methylbenzo[d]thiazol-2-yl)thiophene-2-carboxamide
CID 739615
N-(6-Methanesulfonyl-benzothiazol-2-yl)-benzamide
CID 694930
N-(1,3-benzothiazol-2-yl)-2-thiophenecarboxamide
CID 843289
N-(6-acetamido-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 972844
2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 4880510
N-(6-Methyl-1,3-benzothiazol-2-YL)-4-(thiophene-2-sulfonamido)benzamide
CID 12004426
N-(1,3-benzothiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 718180
N-[[(6-methyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-thiophenecarboxamide
CID 739027
N-(1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide
CID 1245575

Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide (CID 2954087) is N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide is CN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3cccs3)sc2c1.
What is the InChIKey of N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is GBTHDCJMNYIKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S3/c1-17(2)23(19,20)9-5-6-10-12(8-9)22-14(15-10)16-13(18)11-4-3-7-21-11/h3-8H,1-2H3,(H,15,16,18).
What are the key properties of N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide?
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 367.48 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 2954087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).