5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

C14H12N2O3S3 — CID 1225609

IUPAC5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)s1
InChIInChI=1S/C14H12N2O3S3/c1-8-3-6-11(20-8)13(17)16-14-15-10-5-4-9(22(2,18)19)7-12(10)21-14/h3-7H,1-2H3,(H,15,16,17)
InChIKeyGGCAYAQYGQEGHS-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.32
Rot. Bonds3

About 5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (PubChem CID 1225609) has the molecular formula C14H12N2O3S3 and a molecular weight of 352.46 g/mol. Its IUPAC name is 5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
PubChem CID1225609
Molecular FormulaC14H12N2O3S3
Molecular Weight352.46 g/mol
Exact Mass352.00
IUPAC Name5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)s1
InChIInChI=1S/C14H12N2O3S3/c1-8-3-6-11(20-8)13(17)16-14-15-10-5-4-9(22(2,18)19)7-12(10)21-14/h3-7H,1-2H3,(H,15,16,17)
InChIKeyGGCAYAQYGQEGHS-UHFFFAOYSA-N
XLogP3.32
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.32
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-Benzothiazol-2-yl-benzamide
CID 689669
N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 953485
S-(2-(2-Benzothiazolylamino)-2-oxoethyl) ethanethioate
CID 112568
N-(6-methylbenzo[d]thiazol-2-yl)thiophene-2-carboxamide
CID 739615
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide
CID 2954087
N-(6-Methanesulfonyl-benzothiazol-2-yl)-benzamide
CID 694930
N-(6-acetamido-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 972844
N-(2-fluorophenyl)-N'-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]urea
CID 2242090
2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 4880510
4-chloro-N-(6-(methylsulfonyl)benzo[d]thiazol-2-yl)benzamide
CID 1075101
N-(6-Methyl-1,3-benzothiazol-2-YL)-4-(thiophene-2-sulfonamido)benzamide
CID 12004426

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (CID 1225609) is 5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is Cc1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)s1.
What is the InChIKey of 5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is GGCAYAQYGQEGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S3/c1-8-3-6-11(20-8)13(17)16-14-15-10-5-4-9(22(2,18)19)7-12(10)21-14/h3-7H,1-2H3,(H,15,16,17).
What are the key properties of 5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 1225609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).