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

C13H11N3O4S2 — CID 2971235

IUPAC5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)no1
InChIInChI=1S/C13H11N3O4S2/c1-7-5-10(16-20-7)12(17)15-13-14-9-4-3-8(22(2,18)19)6-11(9)21-13/h3-6H,1-2H3,(H,14,15,17)
InChIKeyGIPDYZOMWUQQON-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.25
Rot. Bonds3

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

5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 2971235) has the molecular formula C13H11N3O4S2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID2971235
Molecular FormulaC13H11N3O4S2
Molecular Weight337.38 g/mol
Exact Mass337.02
IUPAC Name5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)no1
InChIInChI=1S/C13H11N3O4S2/c1-7-5-10(16-20-7)12(17)15-13-14-9-4-3-8(22(2,18)19)6-11(9)21-13/h3-6H,1-2H3,(H,14,15,17)
InChIKeyGIPDYZOMWUQQON-UHFFFAOYSA-N
XLogP2.25
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-methylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 17013473
5-methyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 16953807
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide
CID 17012662
2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
CID 18196513
6-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide
CID 121167400
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 110675287
2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid
CID 2255145
3-bromo-5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 167861031
4-methylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 7565342
3,6,7-trimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 986538
2,3,4,5-tetrafluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 8013057
2-chloro-4-methylsulfonyl-N-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzamide
CID 25261062

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide (CID 2971235) is 5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)no1.
What is the InChIKey of 5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is GIPDYZOMWUQQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4S2/c1-7-5-10(16-20-7)12(17)15-13-14-9-4-3-8(22(2,18)19)6-11(9)21-13/h3-6H,1-2H3,(H,14,15,17).
What are the key properties of 5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide?
5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 2971235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).