benzo[g][1,3]benzothiazol-2-amine

C11H8N2S — CID 838513

IUPACbenzo[g][1,3]benzothiazol-2-amine
SMILESNc1nc2ccc3ccccc3c2s1
InChIInChI=1S/C11H8N2S/c12-11-13-9-6-5-7-3-1-2-4-8(7)10(9)14-11/h1-6H,(H2,12,13)
InChIKeyLYVQRUORYRZNMM-UHFFFAOYSA-N
MW200.27 g/mol
LogP3.03
Rot. Bonds

About benzo[g][1,3]benzothiazol-2-amine

benzo[g][1,3]benzothiazol-2-amine (PubChem CID 838513) has the molecular formula C11H8N2S and a molecular weight of 200.27 g/mol. Its IUPAC name is benzo[g][1,3]benzothiazol-2-amine.

Molecular Properties

Compound Namebenzo[g][1,3]benzothiazol-2-amine
PubChem CID838513
Molecular FormulaC11H8N2S
Molecular Weight200.27 g/mol
Exact Mass200.04
IUPAC Namebenzo[g][1,3]benzothiazol-2-amine
SMILESNc1nc2ccc3ccccc3c2s1
InChIInChI=1S/C11H8N2S/c12-11-13-9-6-5-7-3-1-2-4-8(7)10(9)14-11/h1-6H,(H2,12,13)
InChIKeyLYVQRUORYRZNMM-UHFFFAOYSA-N
XLogP3.03
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzo[g][1,3]benzothiazol-2-amine?
The IUPAC name of benzo[g][1,3]benzothiazol-2-amine (CID 838513) is benzo[g][1,3]benzothiazol-2-amine.
What is the SMILES notation for benzo[g][1,3]benzothiazol-2-amine?
The canonical SMILES for benzo[g][1,3]benzothiazol-2-amine is Nc1nc2ccc3ccccc3c2s1.
What is the InChIKey of benzo[g][1,3]benzothiazol-2-amine?
The InChIKey is LYVQRUORYRZNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S/c12-11-13-9-6-5-7-3-1-2-4-8(7)10(9)14-11/h1-6H,(H2,12,13).
What are the key properties of benzo[g][1,3]benzothiazol-2-amine?
benzo[g][1,3]benzothiazol-2-amine has a molecular weight of 200.27 g/mol, XLogP of 3.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[g][1,3]benzothiazol-2-amine is sourced from PubChem (CID 838513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).