6-phenyl-1,3-benzothiazol-2-amine

C13H10N2S — CID 5109813

IUPAC6-phenyl-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(-c3ccccc3)cc2s1
InChIInChI=1S/C13H10N2S/c14-13-15-11-7-6-10(8-12(11)16-13)9-4-2-1-3-5-9/h1-8H,(H2,14,15)
InChIKeyGIOCFNWQTZDWNE-UHFFFAOYSA-N
MW226.30 g/mol
LogP3.55
Rot. Bonds1

About 6-phenyl-1,3-benzothiazol-2-amine

6-phenyl-1,3-benzothiazol-2-amine (PubChem CID 5109813) has the molecular formula C13H10N2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 6-phenyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-phenyl-1,3-benzothiazol-2-amine
PubChem CID5109813
Molecular FormulaC13H10N2S
Molecular Weight226.30 g/mol
Exact Mass226.06
IUPAC Name6-phenyl-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(-c3ccccc3)cc2s1
InChIInChI=1S/C13H10N2S/c14-13-15-11-7-6-10(8-12(11)16-13)9-4-2-1-3-5-9/h1-8H,(H2,14,15)
InChIKeyGIOCFNWQTZDWNE-UHFFFAOYSA-N
XLogP3.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-phenyl-1,3-benzothiazol-2-amine (CID 5109813) is 6-phenyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-phenyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-phenyl-1,3-benzothiazol-2-amine is Nc1nc2ccc(-c3ccccc3)cc2s1.
What is the InChIKey of 6-phenyl-1,3-benzothiazol-2-amine?
The InChIKey is GIOCFNWQTZDWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S/c14-13-15-11-7-6-10(8-12(11)16-13)9-4-2-1-3-5-9/h1-8H,(H2,14,15).
What are the key properties of 6-phenyl-1,3-benzothiazol-2-amine?
6-phenyl-1,3-benzothiazol-2-amine has a molecular weight of 226.30 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 5109813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).