2-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-benzothiazol-3-one

C15H10N2O2S2 — CID 2328639

IUPAC2-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-benzothiazol-3-one
SMILESCOc1ccc2nc(-n3sc4ccccc4c3=O)sc2c1
InChIInChI=1S/C15H10N2O2S2/c1-19-9-6-7-11-13(8-9)20-15(16-11)17-14(18)10-4-2-3-5-12(10)21-17/h2-8H,1H3
InChIKeyJKZPEUGFTPUVIK-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.67
Rot. Bonds2

About 2-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-benzothiazol-3-one

2-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-benzothiazol-3-one (PubChem CID 2328639) has the molecular formula C15H10N2O2S2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name2-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-benzothiazol-3-one
PubChem CID2328639
Molecular FormulaC15H10N2O2S2
Molecular Weight314.39 g/mol
Exact Mass314.02
IUPAC Name2-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-benzothiazol-3-one
SMILESCOc1ccc2nc(-n3sc4ccccc4c3=O)sc2c1
InChIInChI=1S/C15H10N2O2S2/c1-19-9-6-7-11-13(8-9)20-15(16-11)17-14(18)10-4-2-3-5-12(10)21-17/h2-8H,1H3
InChIKeyJKZPEUGFTPUVIK-UHFFFAOYSA-N
XLogP3.67
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-methoxy-1,3-benzothiazol-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168708570
6-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 5205722
4-(chloromethyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-2-one
CID 168507489
4-(bromomethyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-2-one
CID 168504168
6-methoxy-2-[4-[10-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3-benzothiazole
CID 22960185
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole
CID 121081547
2-(4-benzylpiperazin-1-yl)-6-methoxy-1,3-benzothiazole
CID 90601897
2-imino-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
CID 4976358
2-[(E)-(4-methoxyphenyl)methylideneamino]-1,2-benzothiazol-3-one
CID 10684466
2-(2-fluorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
CID 11842555
2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine
CID 82192583
6-methoxy-2-(naphthalen-1-ylmethyl)-1,3-benzothiazole
CID 57312880

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-benzothiazol-3-one?
The IUPAC name of 2-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-benzothiazol-3-one (CID 2328639) is 2-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-benzothiazol-3-one.
What is the SMILES notation for 2-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-benzothiazol-3-one?
The canonical SMILES for 2-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-benzothiazol-3-one is COc1ccc2nc(-n3sc4ccccc4c3=O)sc2c1.
What is the InChIKey of 2-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-benzothiazol-3-one?
The InChIKey is JKZPEUGFTPUVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2S2/c1-19-9-6-7-11-13(8-9)20-15(16-11)17-14(18)10-4-2-3-5-12(10)21-17/h2-8H,1H3.
What are the key properties of 2-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-benzothiazol-3-one?
2-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-benzothiazol-3-one has a molecular weight of 314.39 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-benzothiazol-3-one is sourced from PubChem (CID 2328639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).