1,3-benzothiazol-2-yl(phenyl)methanamine

C14H12N2S — CID 13342005

IUPAC1,3-benzothiazol-2-yl(phenyl)methanamine
SMILESNC(c1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C14H12N2S/c15-13(10-6-2-1-3-7-10)14-16-11-8-4-5-9-12(11)17-14/h1-9,13H,15H2
InChIKeyLCUXOKKXLIBQKQ-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.34
Rot. Bonds2

About 1,3-benzothiazol-2-yl(phenyl)methanamine

1,3-benzothiazol-2-yl(phenyl)methanamine (PubChem CID 13342005) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl(phenyl)methanamine.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl(phenyl)methanamine
PubChem CID13342005
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name1,3-benzothiazol-2-yl(phenyl)methanamine
SMILESNC(c1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C14H12N2S/c15-13(10-6-2-1-3-7-10)14-16-11-8-4-5-9-12(11)17-14/h1-9,13H,15H2
InChIKeyLCUXOKKXLIBQKQ-UHFFFAOYSA-N
XLogP3.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl(phenyl)methanamine?
The IUPAC name of 1,3-benzothiazol-2-yl(phenyl)methanamine (CID 13342005) is 1,3-benzothiazol-2-yl(phenyl)methanamine.
What is the SMILES notation for 1,3-benzothiazol-2-yl(phenyl)methanamine?
The canonical SMILES for 1,3-benzothiazol-2-yl(phenyl)methanamine is NC(c1ccccc1)c1nc2ccccc2s1.
What is the InChIKey of 1,3-benzothiazol-2-yl(phenyl)methanamine?
The InChIKey is LCUXOKKXLIBQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c15-13(10-6-2-1-3-7-10)14-16-11-8-4-5-9-12(11)17-14/h1-9,13H,15H2.
What are the key properties of 1,3-benzothiazol-2-yl(phenyl)methanamine?
1,3-benzothiazol-2-yl(phenyl)methanamine has a molecular weight of 240.33 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl(phenyl)methanamine is sourced from PubChem (CID 13342005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).