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

C13H11N3O2S — CID 112525625

IUPAC5-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-1,3-oxazole-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc3sc(C)nc3c2)o1
InChIInChI=1S/C13H11N3O2S/c1-7-6-14-13(18-7)12(17)16-9-3-4-11-10(5-9)15-8(2)19-11/h3-6H,1-2H3,(H,16,17)
InChIKeyCPPMOASINRALOL-UHFFFAOYSA-N
MW273.32 g/mol
LogP3.15
Rot. Bonds2

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

5-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-1,3-oxazole-2-carboxamide (PubChem CID 112525625) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-1,3-oxazole-2-carboxamide
PubChem CID112525625
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name5-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-1,3-oxazole-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc3sc(C)nc3c2)o1
InChIInChI=1S/C13H11N3O2S/c1-7-6-14-13(18-7)12(17)16-9-3-4-11-10(5-9)15-8(2)19-11/h3-6H,1-2H3,(H,16,17)
InChIKeyCPPMOASINRALOL-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

1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide
CID 42110934
N-(2-methyl-1,3-benzothiazol-5-yl)-5-sulfamoylfuran-2-carboxamide
CID 112525636
N-(2-methyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide
CID 110442376
N-(1H-indazol-5-yl)-5-methyl-1,3-oxazole-2-carboxamide
CID 112527219
3-fluoro-4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 11301035
1-(3,4-dihydroxyphenyl)-3-(2-methyl-1,3-benzothiazol-5-yl)urea
CID 142259708
5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 4800129
3-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)butanamide
CID 110442147
5-methyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-2-carboxamide
CID 84577750
N-(2-methyl-1,3-benzothiazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-c]pyridazine-3-carboxamide
CID 154583818
6-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)pyridazine-3-carboxamide
CID 71791752
4-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 110445417

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-1,3-oxazole-2-carboxamide (CID 112525625) is 5-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-1,3-oxazole-2-carboxamide is Cc1cnc(C(=O)Nc2ccc3sc(C)nc3c2)o1.
What is the InChIKey of 5-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-1,3-oxazole-2-carboxamide?
The InChIKey is CPPMOASINRALOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-7-6-14-13(18-7)12(17)16-9-3-4-11-10(5-9)15-8(2)19-11/h3-6H,1-2H3,(H,16,17).
What are the key properties of 5-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-1,3-oxazole-2-carboxamide?
5-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-1,3-oxazole-2-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 5-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 112525625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).