2-(naphthalen-2-ylmethyl)-1,3-benzothiazol-6-amine

C18H14N2S — CID 66203826

IUPAC2-(naphthalen-2-ylmethyl)-1,3-benzothiazol-6-amine
SMILESNc1ccc2nc(Cc3ccc4ccccc4c3)sc2c1
InChIInChI=1S/C18H14N2S/c19-15-7-8-16-17(11-15)21-18(20-16)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-9,11H,10,19H2
InChIKeyNOOZPUUIKXXHEI-UHFFFAOYSA-N
MW290.39 g/mol
LogP4.62
Rot. Bonds2

About 2-(naphthalen-2-ylmethyl)-1,3-benzothiazol-6-amine

2-(naphthalen-2-ylmethyl)-1,3-benzothiazol-6-amine (PubChem CID 66203826) has the molecular formula C18H14N2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(naphthalen-2-ylmethyl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-(naphthalen-2-ylmethyl)-1,3-benzothiazol-6-amine
PubChem CID66203826
Molecular FormulaC18H14N2S
Molecular Weight290.39 g/mol
Exact Mass290.09
IUPAC Name2-(naphthalen-2-ylmethyl)-1,3-benzothiazol-6-amine
SMILESNc1ccc2nc(Cc3ccc4ccccc4c3)sc2c1
InChIInChI=1S/C18H14N2S/c19-15-7-8-16-17(11-15)21-18(20-16)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-9,11H,10,19H2
InChIKeyNOOZPUUIKXXHEI-UHFFFAOYSA-N
XLogP4.62
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(naphthalen-2-ylmethyl)-1,3-benzothiazol-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylmethyl)-1,3-benzothiazol-6-amine?
The IUPAC name of 2-(naphthalen-2-ylmethyl)-1,3-benzothiazol-6-amine (CID 66203826) is 2-(naphthalen-2-ylmethyl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-(naphthalen-2-ylmethyl)-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-(naphthalen-2-ylmethyl)-1,3-benzothiazol-6-amine is Nc1ccc2nc(Cc3ccc4ccccc4c3)sc2c1.
What is the InChIKey of 2-(naphthalen-2-ylmethyl)-1,3-benzothiazol-6-amine?
The InChIKey is NOOZPUUIKXXHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2S/c19-15-7-8-16-17(11-15)21-18(20-16)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-9,11H,10,19H2.
What are the key properties of 2-(naphthalen-2-ylmethyl)-1,3-benzothiazol-6-amine?
2-(naphthalen-2-ylmethyl)-1,3-benzothiazol-6-amine has a molecular weight of 290.39 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylmethyl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 66203826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).