2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-benzothiazole-6-carboxamide

C13H11N3O2S — CID 2319352

IUPAC2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-benzothiazole-6-carboxamide
SMILESCc1cc(NC(=O)c2ccc3nc(C)sc3c2)no1
InChIInChI=1S/C13H11N3O2S/c1-7-5-12(16-18-7)15-13(17)9-3-4-10-11(6-9)19-8(2)14-10/h3-6H,1-2H3,(H,15,16,17)
InChIKeyWYOXSWNEFWFYMY-UHFFFAOYSA-N
MW273.32 g/mol
LogP3.15
Rot. Bonds2

About 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-benzothiazole-6-carboxamide

2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-benzothiazole-6-carboxamide (PubChem CID 2319352) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-benzothiazole-6-carboxamide
PubChem CID2319352
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-benzothiazole-6-carboxamide
SMILESCc1cc(NC(=O)c2ccc3nc(C)sc3c2)no1
InChIInChI=1S/C13H11N3O2S/c1-7-5-12(16-18-7)15-13(17)9-3-4-10-11(6-9)19-8(2)14-10/h3-6H,1-2H3,(H,15,16,17)
InChIKeyWYOXSWNEFWFYMY-UHFFFAOYSA-N
XLogP3.15
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 3147269
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-benzothiazole-6-carboxamide
CID 44453685
1-[4-(1,3-Benzothiazol-2-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 122181825
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 684682
N-(4-{[(5-methyl-3-isoxazolyl)amino]carbonyl}phenyl)-2-thiophenecarboxamide
CID 973273
N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 2115176
3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1086352
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
CID 2544451
2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8882421
N-(1,3-benzothiazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 18126518
2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 25102510
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide
CID 155810290

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-benzothiazole-6-carboxamide (CID 2319352) is 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-benzothiazole-6-carboxamide is Cc1cc(NC(=O)c2ccc3nc(C)sc3c2)no1.
What is the InChIKey of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is WYOXSWNEFWFYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-7-5-12(16-18-7)15-13(17)9-3-4-10-11(6-9)19-8(2)14-10/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-benzothiazole-6-carboxamide?
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 273.32 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 2319352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).