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

C17H18N2S — CID 79147272

IUPACN-(2-ethyl-6-methylphenyl)-4-methyl-1,3-benzothiazol-2-amine
SMILESCCc1cccc(C)c1Nc1nc2c(C)cccc2s1
InChIInChI=1S/C17H18N2S/c1-4-13-9-5-7-11(2)15(13)18-17-19-16-12(3)8-6-10-14(16)20-17/h5-10H,4H2,1-3H3,(H,18,19)
InChIKeyITZSERHLVIYQAP-UHFFFAOYSA-N
MW282.41 g/mol
LogP5.22
Rot. Bonds3

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

N-(2-ethyl-6-methylphenyl)-4-methyl-1,3-benzothiazol-2-amine (PubChem CID 79147272) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-4-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-4-methyl-1,3-benzothiazol-2-amine
PubChem CID79147272
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC NameN-(2-ethyl-6-methylphenyl)-4-methyl-1,3-benzothiazol-2-amine
SMILESCCc1cccc(C)c1Nc1nc2c(C)cccc2s1
InChIInChI=1S/C17H18N2S/c1-4-13-9-5-7-11(2)15(13)18-17-19-16-12(3)8-6-10-14(16)20-17/h5-10H,4H2,1-3H3,(H,18,19)
InChIKeyITZSERHLVIYQAP-UHFFFAOYSA-N
XLogP5.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.41
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazol-2-amine
CID 79527732
4-methyl-N-(2,4,6-trichlorophenyl)-1,3-benzothiazol-2-amine
CID 79146236
N-(2,6-dibromo-4-methylphenyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79146492
N-(4-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine
CID 78908944
4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 78908729
2-(2,6-dichlorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 4042100
2-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 79023890
N-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetamide
CID 79129777
N-(2-ethylsulfinylethyl)-4-methyl-1,3-benzothiazol-2-amine
CID 113494989
ethane;2-ethyl-4-methyl-1,3-benzothiazole
CID 91212419
6-N-(4-ethylphenyl)-4-N-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine
CID 22544353
3-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoic acid
CID 82192935

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-4-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-4-methyl-1,3-benzothiazol-2-amine (CID 79147272) is N-(2-ethyl-6-methylphenyl)-4-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-4-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-4-methyl-1,3-benzothiazol-2-amine is CCc1cccc(C)c1Nc1nc2c(C)cccc2s1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-4-methyl-1,3-benzothiazol-2-amine?
The InChIKey is ITZSERHLVIYQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-4-13-9-5-7-11(2)15(13)18-17-19-16-12(3)8-6-10-14(16)20-17/h5-10H,4H2,1-3H3,(H,18,19).
What are the key properties of N-(2-ethyl-6-methylphenyl)-4-methyl-1,3-benzothiazol-2-amine?
N-(2-ethyl-6-methylphenyl)-4-methyl-1,3-benzothiazol-2-amine has a molecular weight of 282.41 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-4-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79147272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).