N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-benzothiazol-5-amine

C16H13N3OS2 — CID 43968479

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-benzothiazol-5-amine
SMILESCOc1ccc2nc(Nc3ccc4sc(C)nc4c3)sc2c1
InChIInChI=1S/C16H13N3OS2/c1-9-17-13-7-10(3-6-14(13)21-9)18-16-19-12-5-4-11(20-2)8-15(12)22-16/h3-8H,1-2H3,(H,18,19)
InChIKeyBUFJUFYYABCLEB-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.97
Rot. Bonds3

About N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-benzothiazol-5-amine

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-benzothiazol-5-amine (PubChem CID 43968479) has the molecular formula C16H13N3OS2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-benzothiazol-5-amine.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-benzothiazol-5-amine
PubChem CID43968479
Molecular FormulaC16H13N3OS2
Molecular Weight327.43 g/mol
Exact Mass327.05
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-benzothiazol-5-amine
SMILESCOc1ccc2nc(Nc3ccc4sc(C)nc4c3)sc2c1
InChIInChI=1S/C16H13N3OS2/c1-9-17-13-7-10(3-6-14(13)21-9)18-16-19-12-5-4-11(20-2)8-15(12)22-16/h3-8H,1-2H3,(H,18,19)
InChIKeyBUFJUFYYABCLEB-UHFFFAOYSA-N
XLogP4.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-benzothiazol-5-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

5-methoxy-N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7489943
N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 53414489
ethane;5-methoxy-2-methyl-1,3-benzothiazole
CID 142881099
N-(2-methyl-1,3-benzothiazol-5-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
CID 43968771
6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7086355
N-(3,5-dichloro-4-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107575961
6-methoxy-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
CID 53414965
5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carboxylic acid
CID 104638730
N-(3-ethoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 53414475
N-(2,6-dibromophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107601400
6-methoxy-N-(2-methylphenyl)-1,3-benzothiazol-2-amine
CID 79018404
N-(2,4-dimethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518411

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-benzothiazol-5-amine?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-benzothiazol-5-amine (CID 43968479) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-benzothiazol-5-amine.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-benzothiazol-5-amine?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-benzothiazol-5-amine is COc1ccc2nc(Nc3ccc4sc(C)nc4c3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-benzothiazol-5-amine?
The InChIKey is BUFJUFYYABCLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS2/c1-9-17-13-7-10(3-6-14(13)21-9)18-16-19-12-5-4-11(20-2)8-15(12)22-16/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-benzothiazol-5-amine?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-benzothiazol-5-amine has a molecular weight of 327.43 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-benzothiazol-5-amine is sourced from PubChem (CID 43968479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).