N-(2,4-dimethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine

C16H16N2OS — CID 79518411

IUPACN-(2,4-dimethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(Nc3ccc(C)cc3C)sc2c1
InChIInChI=1S/C16H16N2OS/c1-10-4-6-13(11(2)8-10)17-16-18-14-7-5-12(19-3)9-15(14)20-16/h4-9H,1-3H3,(H,17,18)
InChIKeyFBKUOJITYSSKFX-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.67
Rot. Bonds3

About N-(2,4-dimethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine

N-(2,4-dimethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine (PubChem CID 79518411) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
PubChem CID79518411
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-(2,4-dimethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(Nc3ccc(C)cc3C)sc2c1
InChIInChI=1S/C16H16N2OS/c1-10-4-6-13(11(2)8-10)17-16-18-14-7-5-12(19-3)9-15(14)20-16/h4-9H,1-3H3,(H,17,18)
InChIKeyFBKUOJITYSSKFX-UHFFFAOYSA-N
XLogP4.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-4-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518712
6-methoxy-N-(2-methylphenyl)-1,3-benzothiazol-2-amine
CID 79018404
5-bromo-N-(4-methoxy-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 63546804
6-methyl-N-(2,3,4-trimethoxyphenyl)-1,3-benzothiazol-2-amine
CID 86577101
N-(4-bromo-2-chlorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518416
N-(3-chloro-2-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 78908946
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-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541931
N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 78908750
N-(4-bromo-2-ethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 81288755
6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine
CID 79142410

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine (CID 79518411) is N-(2,4-dimethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine is COc1ccc2nc(Nc3ccc(C)cc3C)sc2c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is FBKUOJITYSSKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-10-4-6-13(11(2)8-10)17-16-18-14-7-5-12(19-3)9-15(14)20-16/h4-9H,1-3H3,(H,17,18).
What are the key properties of N-(2,4-dimethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine?
N-(2,4-dimethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 284.38 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79518411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).