2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide

C13H12N4O4S2 — CID 110675287

IUPAC2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1nc(CC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)no1
InChIInChI=1S/C13H12N4O4S2/c1-7-14-11(17-21-7)6-12(18)16-13-15-9-4-3-8(23(2,19)20)5-10(9)22-13/h3-5H,6H2,1-2H3,(H,15,16,18)
InChIKeyOTSDGCVROPNDDT-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.57
Rot. Bonds4

About 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide

2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 110675287) has the molecular formula C13H12N4O4S2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID110675287
Molecular FormulaC13H12N4O4S2
Molecular Weight352.40 g/mol
Exact Mass352.03
IUPAC Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1nc(CC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)no1
InChIInChI=1S/C13H12N4O4S2/c1-7-14-11(17-21-7)6-12(18)16-13-15-9-4-3-8(23(2,19)20)5-10(9)22-13/h3-5H,6H2,1-2H3,(H,15,16,18)
InChIKeyOTSDGCVROPNDDT-UHFFFAOYSA-N
XLogP1.57
TPSA115.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3,4-dimethylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 2666726
2-(4-bromophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 2059533
5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 2971235
2-(2,5-difluorophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 167986896
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 55386561
2-(3-methoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 2666779
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)decanamide
CID 4674921
5-(4-methylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 17013473
2-(azepan-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 650783
(3R)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CID 1164537
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 2084883
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide
CID 108787890

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide (CID 110675287) is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide is Cc1nc(CC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)no1.
What is the InChIKey of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is OTSDGCVROPNDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4S2/c1-7-14-11(17-21-7)6-12(18)16-13-15-9-4-3-8(23(2,19)20)5-10(9)22-13/h3-5H,6H2,1-2H3,(H,15,16,18).
What are the key properties of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide?
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 352.40 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 110675287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).