6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine

C17H18N2S — CID 79142410

IUPAC6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine
SMILESCc1cc(C)c(Nc2nc3ccc(C)cc3s2)c(C)c1
InChIInChI=1S/C17H18N2S/c1-10-5-6-14-15(9-10)20-17(18-14)19-16-12(3)7-11(2)8-13(16)4/h5-9H,1-4H3,(H,18,19)
InChIKeyLTSVLEAOMBPLHP-UHFFFAOYSA-N
MW282.41 g/mol
LogP5.27
Rot. Bonds2

About 6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine

6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine (PubChem CID 79142410) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine
PubChem CID79142410
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine
SMILESCc1cc(C)c(Nc2nc3ccc(C)cc3s2)c(C)c1
InChIInChI=1S/C17H18N2S/c1-10-5-6-14-15(9-10)20-17(18-14)19-16-12(3)7-11(2)8-13(16)4/h5-9H,1-4H3,(H,18,19)
InChIKeyLTSVLEAOMBPLHP-UHFFFAOYSA-N
XLogP5.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.41
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 12955114
N-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 107637469
N-(2,6-dimethylphenyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79143552
6-methyl-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine
CID 78908955
N-(4-tert-butylphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79127962
6-methyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine
CID 132581595
3-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzenecarbothioamide
CID 107107696
N-(2,4-dimethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518411
N-(3,4-dimethoxyphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79128816
N-(2,5-dibromophenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79142921
5-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzonitrile
CID 107926862
N-(6-chloro-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine
CID 87379371

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine (CID 79142410) is 6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine is Cc1cc(C)c(Nc2nc3ccc(C)cc3s2)c(C)c1.
What is the InChIKey of 6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is LTSVLEAOMBPLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-10-5-6-14-15(9-10)20-17(18-14)19-16-12(3)7-11(2)8-13(16)4/h5-9H,1-4H3,(H,18,19).
What are the key properties of 6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine?
6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine has a molecular weight of 282.41 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79142410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).