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

C16H16N2S — CID 78908879

IUPAC6-methyl-N-(1-phenylethyl)-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(NC(C)c3ccccc3)sc2c1
InChIInChI=1S/C16H16N2S/c1-11-8-9-14-15(10-11)19-16(18-14)17-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,17,18)
InChIKeyMAZZBDNTAAJIFY-UHFFFAOYSA-N
MW268.39 g/mol
LogP4.78
Rot. Bonds3

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

6-methyl-N-(1-phenylethyl)-1,3-benzothiazol-2-amine (PubChem CID 78908879) has the molecular formula C16H16N2S and a molecular weight of 268.39 g/mol. Its IUPAC name is 6-methyl-N-(1-phenylethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-(1-phenylethyl)-1,3-benzothiazol-2-amine
PubChem CID78908879
Molecular FormulaC16H16N2S
Molecular Weight268.39 g/mol
Exact Mass268.10
IUPAC Name6-methyl-N-(1-phenylethyl)-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(NC(C)c3ccccc3)sc2c1
InChIInChI=1S/C16H16N2S/c1-11-8-9-14-15(10-11)19-16(18-14)17-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,17,18)
InChIKeyMAZZBDNTAAJIFY-UHFFFAOYSA-N
XLogP4.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142758
6-methyl-N-(1-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine
CID 79142414
N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine
CID 28533165
6-methyl-N-(3-phenylbutyl)-1,3-benzothiazol-2-amine
CID 79126739
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142593
N-(3-ethylpentan-2-yl)-6-methyl-1,3-benzothiazol-2-amine
CID 79143180
N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine
CID 66241808
N-[1-(4-bromophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 60658936
6-methyl-N-(1-phenylethyl)-1H-benzimidazol-2-amine
CID 45017469
6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 79525971
N-[1-(4-bromophenyl)ethyl]-6-chloro-1,3-benzothiazol-2-amine
CID 79524862
4-N-benzhydryl-6-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19150075

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(1-phenylethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methyl-N-(1-phenylethyl)-1,3-benzothiazol-2-amine (CID 78908879) is 6-methyl-N-(1-phenylethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methyl-N-(1-phenylethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methyl-N-(1-phenylethyl)-1,3-benzothiazol-2-amine is Cc1ccc2nc(NC(C)c3ccccc3)sc2c1.
What is the InChIKey of 6-methyl-N-(1-phenylethyl)-1,3-benzothiazol-2-amine?
The InChIKey is MAZZBDNTAAJIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-11-8-9-14-15(10-11)19-16(18-14)17-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,17,18).
What are the key properties of 6-methyl-N-(1-phenylethyl)-1,3-benzothiazol-2-amine?
6-methyl-N-(1-phenylethyl)-1,3-benzothiazol-2-amine has a molecular weight of 268.39 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(1-phenylethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 78908879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).