6-methoxy-N-phenyl-[1,2,4]oxadiazolo[3,4-b][1,3]benzothiazol-1-imine

C15H11N3O2S — CID 162403423

IUPAC6-methoxy-N-phenyl-[1,2,4]oxadiazolo[3,4-b][1,3]benzothiazol-1-imine
SMILESCOc1ccc2c(c1)sc1no/c(=N\c3ccccc3)n12
InChIInChI=1S/C15H11N3O2S/c1-19-11-7-8-12-13(9-11)21-15-17-20-14(18(12)15)16-10-5-3-2-4-6-10/h2-9H,1H3/b16-14-
InChIKeyKFCAXDPQSQWDJC-PEZBUJJGSA-N
MW297.34 g/mol
LogP3.38
Rot. Bonds2

About 6-methoxy-N-phenyl-[1,2,4]oxadiazolo[3,4-b][1,3]benzothiazol-1-imine

6-methoxy-N-phenyl-[1,2,4]oxadiazolo[3,4-b][1,3]benzothiazol-1-imine (PubChem CID 162403423) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is 6-methoxy-N-phenyl-[1,2,4]oxadiazolo[3,4-b][1,3]benzothiazol-1-imine.

Molecular Properties

Compound Name6-methoxy-N-phenyl-[1,2,4]oxadiazolo[3,4-b][1,3]benzothiazol-1-imine
PubChem CID162403423
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC Name6-methoxy-N-phenyl-[1,2,4]oxadiazolo[3,4-b][1,3]benzothiazol-1-imine
SMILESCOc1ccc2c(c1)sc1no/c(=N\c3ccccc3)n12
InChIInChI=1S/C15H11N3O2S/c1-19-11-7-8-12-13(9-11)21-15-17-20-14(18(12)15)16-10-5-3-2-4-6-10/h2-9H,1H3/b16-14-
InChIKeyKFCAXDPQSQWDJC-PEZBUJJGSA-N
XLogP3.38
TPSA52.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)pentan-1-amine
CID 82167428
4-(6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)aniline
CID 82167434
6-methoxy-[1,4,2]diazaphospholo[5,1-b][1,3]benzothiazole
CID 134989757
8-methoxy-1-phenyl-[1,2,5]oxadiazino[5,4-a]indol-4-one
CID 11702027
4-[1-(tert-butylamino)-6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl]phenol
CID 53205382
1-(2,4-dimethoxyphenyl)-6-ethoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole
CID 155816074
2-(3,5-dimethoxyphenyl)-6-methoxy-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
CID 53205387
2-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)pyrimido[2,1-b][1,3]benzothiazol-4-one
CID 135401404
N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
CID 4098534
N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
CID 5108762
3-cyclohexyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione
CID 3389789
N-[6-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-methyl-1,2-oxazole-5-carboxamide
CID 16880162

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-phenyl-[1,2,4]oxadiazolo[3,4-b][1,3]benzothiazol-1-imine?
The IUPAC name of 6-methoxy-N-phenyl-[1,2,4]oxadiazolo[3,4-b][1,3]benzothiazol-1-imine (CID 162403423) is 6-methoxy-N-phenyl-[1,2,4]oxadiazolo[3,4-b][1,3]benzothiazol-1-imine.
What is the SMILES notation for 6-methoxy-N-phenyl-[1,2,4]oxadiazolo[3,4-b][1,3]benzothiazol-1-imine?
The canonical SMILES for 6-methoxy-N-phenyl-[1,2,4]oxadiazolo[3,4-b][1,3]benzothiazol-1-imine is COc1ccc2c(c1)sc1no/c(=N\c3ccccc3)n12.
What is the InChIKey of 6-methoxy-N-phenyl-[1,2,4]oxadiazolo[3,4-b][1,3]benzothiazol-1-imine?
The InChIKey is KFCAXDPQSQWDJC-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H11N3O2S/c1-19-11-7-8-12-13(9-11)21-15-17-20-14(18(12)15)16-10-5-3-2-4-6-10/h2-9H,1H3/b16-14-.
What are the key properties of 6-methoxy-N-phenyl-[1,2,4]oxadiazolo[3,4-b][1,3]benzothiazol-1-imine?
6-methoxy-N-phenyl-[1,2,4]oxadiazolo[3,4-b][1,3]benzothiazol-1-imine has a molecular weight of 297.34 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-phenyl-[1,2,4]oxadiazolo[3,4-b][1,3]benzothiazol-1-imine is sourced from PubChem (CID 162403423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).