5-methylbenzo[e][1,3]benzothiazol-2-amine

C12H10N2S — CID 82549899

IUPAC5-methylbenzo[e][1,3]benzothiazol-2-amine
SMILESCc1cc2sc(N)nc2c2ccccc12
InChIInChI=1S/C12H10N2S/c1-7-6-10-11(14-12(13)15-10)9-5-3-2-4-8(7)9/h2-6H,1H3,(H2,13,14)
InChIKeyJQZQMZXXJFFVFE-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.34
Rot. Bonds

About 5-methylbenzo[e][1,3]benzothiazol-2-amine

5-methylbenzo[e][1,3]benzothiazol-2-amine (PubChem CID 82549899) has the molecular formula C12H10N2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 5-methylbenzo[e][1,3]benzothiazol-2-amine.

Molecular Properties

Compound Name5-methylbenzo[e][1,3]benzothiazol-2-amine
PubChem CID82549899
Molecular FormulaC12H10N2S
Molecular Weight214.29 g/mol
Exact Mass214.06
IUPAC Name5-methylbenzo[e][1,3]benzothiazol-2-amine
SMILESCc1cc2sc(N)nc2c2ccccc12
InChIInChI=1S/C12H10N2S/c1-7-6-10-11(14-12(13)15-10)9-5-3-2-4-8(7)9/h2-6H,1H3,(H2,13,14)
InChIKeyJQZQMZXXJFFVFE-UHFFFAOYSA-N
XLogP3.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylbenzo[e][1,3]benzothiazol-2-amine?
The IUPAC name of 5-methylbenzo[e][1,3]benzothiazol-2-amine (CID 82549899) is 5-methylbenzo[e][1,3]benzothiazol-2-amine.
What is the SMILES notation for 5-methylbenzo[e][1,3]benzothiazol-2-amine?
The canonical SMILES for 5-methylbenzo[e][1,3]benzothiazol-2-amine is Cc1cc2sc(N)nc2c2ccccc12.
What is the InChIKey of 5-methylbenzo[e][1,3]benzothiazol-2-amine?
The InChIKey is JQZQMZXXJFFVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S/c1-7-6-10-11(14-12(13)15-10)9-5-3-2-4-8(7)9/h2-6H,1H3,(H2,13,14).
What are the key properties of 5-methylbenzo[e][1,3]benzothiazol-2-amine?
5-methylbenzo[e][1,3]benzothiazol-2-amine has a molecular weight of 214.29 g/mol, XLogP of 3.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylbenzo[e][1,3]benzothiazol-2-amine is sourced from PubChem (CID 82549899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).