2-methyl-6-phenyl-1,3-benzothiazol-5-amine

C14H12N2S — CID 58470111

IUPAC2-methyl-6-phenyl-1,3-benzothiazol-5-amine
SMILESCc1nc2cc(N)c(-c3ccccc3)cc2s1
InChIInChI=1S/C14H12N2S/c1-9-16-13-8-12(15)11(7-14(13)17-9)10-5-3-2-4-6-10/h2-8H,15H2,1H3
InChIKeyZXRDUGBTQOYXRV-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.85
Rot. Bonds1

About 2-methyl-6-phenyl-1,3-benzothiazol-5-amine

2-methyl-6-phenyl-1,3-benzothiazol-5-amine (PubChem CID 58470111) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-methyl-6-phenyl-1,3-benzothiazol-5-amine.

Molecular Properties

Compound Name2-methyl-6-phenyl-1,3-benzothiazol-5-amine
PubChem CID58470111
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name2-methyl-6-phenyl-1,3-benzothiazol-5-amine
SMILESCc1nc2cc(N)c(-c3ccccc3)cc2s1
InChIInChI=1S/C14H12N2S/c1-9-16-13-8-12(15)11(7-14(13)17-9)10-5-3-2-4-6-10/h2-8H,15H2,1H3
InChIKeyZXRDUGBTQOYXRV-UHFFFAOYSA-N
XLogP3.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenyl-1,3-benzothiazol-5-amine?
The IUPAC name of 2-methyl-6-phenyl-1,3-benzothiazol-5-amine (CID 58470111) is 2-methyl-6-phenyl-1,3-benzothiazol-5-amine.
What is the SMILES notation for 2-methyl-6-phenyl-1,3-benzothiazol-5-amine?
The canonical SMILES for 2-methyl-6-phenyl-1,3-benzothiazol-5-amine is Cc1nc2cc(N)c(-c3ccccc3)cc2s1.
What is the InChIKey of 2-methyl-6-phenyl-1,3-benzothiazol-5-amine?
The InChIKey is ZXRDUGBTQOYXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-9-16-13-8-12(15)11(7-14(13)17-9)10-5-3-2-4-6-10/h2-8H,15H2,1H3.
What are the key properties of 2-methyl-6-phenyl-1,3-benzothiazol-5-amine?
2-methyl-6-phenyl-1,3-benzothiazol-5-amine has a molecular weight of 240.33 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenyl-1,3-benzothiazol-5-amine is sourced from PubChem (CID 58470111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).