2-(4-methoxyphenoxy)-1,3-benzothiazol-6-amine

C14H12N2O2S — CID 55176124

IUPAC2-(4-methoxyphenoxy)-1,3-benzothiazol-6-amine
SMILESCOc1ccc(Oc2nc3ccc(N)cc3s2)cc1
InChIInChI=1S/C14H12N2O2S/c1-17-10-3-5-11(6-4-10)18-14-16-12-7-2-9(15)8-13(12)19-14/h2-8H,15H2,1H3
InChIKeyCGJMWCBVZCZIOC-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.68
Rot. Bonds3

About 2-(4-methoxyphenoxy)-1,3-benzothiazol-6-amine

2-(4-methoxyphenoxy)-1,3-benzothiazol-6-amine (PubChem CID 55176124) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-1,3-benzothiazol-6-amine
PubChem CID55176124
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name2-(4-methoxyphenoxy)-1,3-benzothiazol-6-amine
SMILESCOc1ccc(Oc2nc3ccc(N)cc3s2)cc1
InChIInChI=1S/C14H12N2O2S/c1-17-10-3-5-11(6-4-10)18-14-16-12-7-2-9(15)8-13(12)19-14/h2-8H,15H2,1H3
InChIKeyCGJMWCBVZCZIOC-UHFFFAOYSA-N
XLogP3.68
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-methoxyphenoxy)-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

Related Compounds

2-(4-bromophenoxy)-1,3-benzothiazol-6-amine
CID 55175741
2-(3-tert-butylphenoxy)-1,3-benzothiazol-6-amine
CID 63456627
2-quinolin-7-yloxy-1,3-benzothiazol-6-amine
CID 107313184
3-[(6-amino-1,3-benzothiazol-2-yl)oxy]benzonitrile
CID 55176316
N-methoxy-2-[4-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]propanamide
CID 126644718
4-[(5-chloro-1,3-benzothiazol-2-yl)oxy]aniline
CID 21298104
CID 158604119
CID 158604119
6-methyl-2-phenoxy-1,3-benzothiazole
CID 44549864
4-fluoro-3-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 79511099
2-(4-bromo-2-chlorophenoxy)-1,3-benzothiazol-6-amine
CID 63457269
4-bromo-3-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 115296481
2-N-(3-methoxyphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine
CID 63231344

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-1,3-benzothiazol-6-amine?
The IUPAC name of 2-(4-methoxyphenoxy)-1,3-benzothiazol-6-amine (CID 55176124) is 2-(4-methoxyphenoxy)-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-(4-methoxyphenoxy)-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-(4-methoxyphenoxy)-1,3-benzothiazol-6-amine is COc1ccc(Oc2nc3ccc(N)cc3s2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-1,3-benzothiazol-6-amine?
The InChIKey is CGJMWCBVZCZIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-17-10-3-5-11(6-4-10)18-14-16-12-7-2-9(15)8-13(12)19-14/h2-8H,15H2,1H3.
What are the key properties of 2-(4-methoxyphenoxy)-1,3-benzothiazol-6-amine?
2-(4-methoxyphenoxy)-1,3-benzothiazol-6-amine has a molecular weight of 272.33 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 55176124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).