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

C18H18N2S — CID 78908767

IUPAC6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(NC3CCCc4ccccc43)sc2c1
InChIInChI=1S/C18H18N2S/c1-12-9-10-16-17(11-12)21-18(20-16)19-15-8-4-6-13-5-2-3-7-14(13)15/h2-3,5,7,9-11,15H,4,6,8H2,1H3,(H,19,20)
InChIKeyBZQXAPKFGJLLTG-UHFFFAOYSA-N
MW294.42 g/mol
LogP5.09
Rot. Bonds2

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

6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine (PubChem CID 78908767) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine
PubChem CID78908767
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(NC3CCCc4ccccc43)sc2c1
InChIInChI=1S/C18H18N2S/c1-12-9-10-16-17(11-12)21-18(20-16)19-15-8-4-6-13-5-2-3-7-14(13)15/h2-3,5,7,9-11,15H,4,6,8H2,1H3,(H,19,20)
InChIKeyBZQXAPKFGJLLTG-UHFFFAOYSA-N
XLogP5.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.42
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine
CID 63547158
1-N-(1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 116650362
N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine
CID 78908885
6-methyl-N-(2-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 78908981
2-methyl-6-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 123793614
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-[(5,6-dimethoxybenzimidazol-1-yl)methyl]-1,3-benzothiazol-2-amine
CID 71549309
6-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine
CID 80713313
6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzothiazol-2-amine
CID 79127853
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine
CID 65276359
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-[[5-(1-methylpyrazol-4-yl)imidazol-1-yl]methyl]-1,3-benzothiazol-2-amine
CID 121275228
N-(3,4-dimethylcyclohexyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79142849
N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79054379

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine (CID 78908767) is 6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine is Cc1ccc2nc(NC3CCCc4ccccc43)sc2c1.
What is the InChIKey of 6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine?
The InChIKey is BZQXAPKFGJLLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-12-9-10-16-17(11-12)21-18(20-16)19-15-8-4-6-13-5-2-3-7-14(13)15/h2-3,5,7,9-11,15H,4,6,8H2,1H3,(H,19,20).
What are the key properties of 6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine?
6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine has a molecular weight of 294.42 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 78908767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).