2,7-dimethyl-[1,3]benzothiazolo[6,7-e][1,3]benzothiazole

C14H10N2S2 — CID 929522

IUPAC2,7-dimethyl-[1,3]benzothiazolo[6,7-e][1,3]benzothiazole
SMILESCc1nc2c(ccc3c2ccc2nc(C)sc23)s1
InChIInChI=1S/C14H10N2S2/c1-7-15-11-5-3-9-10(14(11)18-7)4-6-12-13(9)16-8(2)17-12/h3-6H,1-2H3
InChIKeyMMSGFRIHGKJALO-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.68
Rot. Bonds

About 2,7-dimethyl-[1,3]benzothiazolo[6,7-e][1,3]benzothiazole

2,7-dimethyl-[1,3]benzothiazolo[6,7-e][1,3]benzothiazole (PubChem CID 929522) has the molecular formula C14H10N2S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2,7-dimethyl-[1,3]benzothiazolo[6,7-e][1,3]benzothiazole.

Molecular Properties

Compound Name2,7-dimethyl-[1,3]benzothiazolo[6,7-e][1,3]benzothiazole
PubChem CID929522
Molecular FormulaC14H10N2S2
Molecular Weight270.38 g/mol
Exact Mass270.03
IUPAC Name2,7-dimethyl-[1,3]benzothiazolo[6,7-e][1,3]benzothiazole
SMILESCc1nc2c(ccc3c2ccc2nc(C)sc23)s1
InChIInChI=1S/C14H10N2S2/c1-7-15-11-5-3-9-10(14(11)18-7)4-6-12-13(9)16-8(2)17-12/h3-6H,1-2H3
InChIKeyMMSGFRIHGKJALO-UHFFFAOYSA-N
XLogP4.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-[1,3]benzothiazolo[6,7-e][1,3]benzothiazole?
The IUPAC name of 2,7-dimethyl-[1,3]benzothiazolo[6,7-e][1,3]benzothiazole (CID 929522) is 2,7-dimethyl-[1,3]benzothiazolo[6,7-e][1,3]benzothiazole.
What is the SMILES notation for 2,7-dimethyl-[1,3]benzothiazolo[6,7-e][1,3]benzothiazole?
The canonical SMILES for 2,7-dimethyl-[1,3]benzothiazolo[6,7-e][1,3]benzothiazole is Cc1nc2c(ccc3c2ccc2nc(C)sc23)s1.
What is the InChIKey of 2,7-dimethyl-[1,3]benzothiazolo[6,7-e][1,3]benzothiazole?
The InChIKey is MMSGFRIHGKJALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2S2/c1-7-15-11-5-3-9-10(14(11)18-7)4-6-12-13(9)16-8(2)17-12/h3-6H,1-2H3.
What are the key properties of 2,7-dimethyl-[1,3]benzothiazolo[6,7-e][1,3]benzothiazole?
2,7-dimethyl-[1,3]benzothiazolo[6,7-e][1,3]benzothiazole has a molecular weight of 270.38 g/mol, XLogP of 4.68, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-[1,3]benzothiazolo[6,7-e][1,3]benzothiazole is sourced from PubChem (CID 929522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).