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

C13H11N3O2S2 — CID 16953807

IUPAC5-methyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESCSc1ccc2nc(NC(=O)c3cc(C)on3)sc2c1
InChIInChI=1S/C13H11N3O2S2/c1-7-5-10(16-18-7)12(17)15-13-14-9-4-3-8(19-2)6-11(9)20-13/h3-6H,1-2H3,(H,14,15,17)
InChIKeyPERPJEHLBNIBMK-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.57
Rot. Bonds3

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

5-methyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 16953807) has the molecular formula C13H11N3O2S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-methyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID16953807
Molecular FormulaC13H11N3O2S2
Molecular Weight305.38 g/mol
Exact Mass305.03
IUPAC Name5-methyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESCSc1ccc2nc(NC(=O)c3cc(C)on3)sc2c1
InChIInChI=1S/C13H11N3O2S2/c1-7-5-10(16-18-7)12(17)15-13-14-9-4-3-8(19-2)6-11(9)20-13/h3-6H,1-2H3,(H,14,15,17)
InChIKeyPERPJEHLBNIBMK-UHFFFAOYSA-N
XLogP3.57
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 2971235
N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7615080
N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide
CID 7615110
1-(4-methoxyphenyl)-3-(6-methylsulfanyl-1,3-benzothiazol-2-yl)urea
CID 121081181
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7565106
2-(2,4-dimethylphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
CID 7615157
2-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
CID 41320931
N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 41340187
3-butoxy-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 8670645
4-methylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 7565342
5-(3,4-dimethylphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 17011314
5-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 17249187

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide (CID 16953807) is 5-methyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide is CSc1ccc2nc(NC(=O)c3cc(C)on3)sc2c1.
What is the InChIKey of 5-methyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is PERPJEHLBNIBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S2/c1-7-5-10(16-18-7)12(17)15-13-14-9-4-3-8(19-2)6-11(9)20-13/h3-6H,1-2H3,(H,14,15,17).
What are the key properties of 5-methyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide?
5-methyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 3.57, 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-methylsulfanyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 16953807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).