6-methoxy-N-(2-methylphenyl)-1,3-benzothiazol-2-amine

C15H14N2OS — CID 79018404

IUPAC6-methoxy-N-(2-methylphenyl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(Nc3ccccc3C)sc2c1
InChIInChI=1S/C15H14N2OS/c1-10-5-3-4-6-12(10)16-15-17-13-8-7-11(18-2)9-14(13)19-15/h3-9H,1-2H3,(H,16,17)
InChIKeyNENGDMABMOYVGH-UHFFFAOYSA-N
MW270.36 g/mol
LogP4.36
Rot. Bonds3

About 6-methoxy-N-(2-methylphenyl)-1,3-benzothiazol-2-amine

6-methoxy-N-(2-methylphenyl)-1,3-benzothiazol-2-amine (PubChem CID 79018404) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 6-methoxy-N-(2-methylphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methoxy-N-(2-methylphenyl)-1,3-benzothiazol-2-amine
PubChem CID79018404
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name6-methoxy-N-(2-methylphenyl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(Nc3ccccc3C)sc2c1
InChIInChI=1S/C15H14N2OS/c1-10-5-3-4-6-12(10)16-15-17-13-8-7-11(18-2)9-14(13)19-15/h3-9H,1-2H3,(H,16,17)
InChIKeyNENGDMABMOYVGH-UHFFFAOYSA-N
XLogP4.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518411
N-(3-chloro-2-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 78908946
N-(2-fluoro-4-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518712
N-(2,6-dibromophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107601400
N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 78908750
N-(4-bromo-2-chlorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518416
N-(4-chloro-2-iodophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107637483
N-(4-fluoro-2-iodophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79765855
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7105763
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-benzothiazol-5-amine
CID 43968479
6-bromo-N-(2,5-dimethoxyphenyl)-1,3-benzothiazol-2-amine
CID 79524846
5-bromo-N-(4-methoxy-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 63546804

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-methylphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methoxy-N-(2-methylphenyl)-1,3-benzothiazol-2-amine (CID 79018404) is 6-methoxy-N-(2-methylphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methoxy-N-(2-methylphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methoxy-N-(2-methylphenyl)-1,3-benzothiazol-2-amine is COc1ccc2nc(Nc3ccccc3C)sc2c1.
What is the InChIKey of 6-methoxy-N-(2-methylphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is NENGDMABMOYVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-10-5-3-4-6-12(10)16-15-17-13-8-7-11(18-2)9-14(13)19-15/h3-9H,1-2H3,(H,16,17).
What are the key properties of 6-methoxy-N-(2-methylphenyl)-1,3-benzothiazol-2-amine?
6-methoxy-N-(2-methylphenyl)-1,3-benzothiazol-2-amine has a molecular weight of 270.36 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2-methylphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79018404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).