N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine

C14H12N2OS — CID 694151

IUPACN-(3-methoxyphenyl)-1,3-benzothiazol-2-amine
SMILESCOc1cccc(Nc2nc3ccccc3s2)c1
InChIInChI=1S/C14H12N2OS/c1-17-11-6-4-5-10(9-11)15-14-16-12-7-2-3-8-13(12)18-14/h2-9H,1H3,(H,15,16)
InChIKeyJCAWUKQDWALLIP-UHFFFAOYSA-N
MW256.33 g/mol
LogP4.05
Rot. Bonds3

About N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine

N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine (PubChem CID 694151) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1,3-benzothiazol-2-amine
PubChem CID694151
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC NameN-(3-methoxyphenyl)-1,3-benzothiazol-2-amine
SMILESCOc1cccc(Nc2nc3ccccc3s2)c1
InChIInChI=1S/C14H12N2OS/c1-17-11-6-4-5-10(9-11)15-14-16-12-7-2-3-8-13(12)18-14/h2-9H,1H3,(H,15,16)
InChIKeyJCAWUKQDWALLIP-UHFFFAOYSA-N
XLogP4.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-methoxyphenyl)-1,3-benzothiazol-2-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 N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine (CID 694151) is N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine is COc1cccc(Nc2nc3ccccc3s2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is JCAWUKQDWALLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-17-11-6-4-5-10(9-11)15-14-16-12-7-2-3-8-13(12)18-14/h2-9H,1H3,(H,15,16).
What are the key properties of N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine?
N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine has a molecular weight of 256.33 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 694151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).