1-(6-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine

C14H20N2OS — CID 79511739

IUPAC1-(6-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine
SMILESCCOc1ccc2nc(C(N)C(C)(C)C)sc2c1
InChIInChI=1S/C14H20N2OS/c1-5-17-9-6-7-10-11(8-9)18-13(16-10)12(15)14(2,3)4/h6-8,12H,5,15H2,1-4H3
InChIKeyJPKCERCSZYFWJN-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.74
Rot. Bonds3

About 1-(6-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine

1-(6-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine (PubChem CID 79511739) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-(6-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(6-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine
PubChem CID79511739
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name1-(6-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine
SMILESCCOc1ccc2nc(C(N)C(C)(C)C)sc2c1
InChIInChI=1S/C14H20N2OS/c1-5-17-9-6-7-10-11(8-9)18-13(16-10)12(15)14(2,3)4/h6-8,12H,5,15H2,1-4H3
InChIKeyJPKCERCSZYFWJN-UHFFFAOYSA-N
XLogP3.74
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(6-ethoxy-1,3-benzothiazol-2-yl)ethanol
CID 79518392
2-amino-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanol
CID 79518172
4-(6-ethoxy-1,3-benzothiazol-2-yl)pentan-1-amine
CID 113441133
N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)ethyl]propan-1-amine
CID 79873288
2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
CID 113308023
(2S)-2-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide;hydrochloride
CID 119672163
6-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906844
1-cyclopropyl-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanamine
CID 79518771
2-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylaniline
CID 79511111
6-ethoxy-2-[(6-ethoxy-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
CID 22748454
3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
CID 81072937
3-(6-ethoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106663

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-(6-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine (CID 79511739) is 1-(6-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(6-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(6-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine is CCOc1ccc2nc(C(N)C(C)(C)C)sc2c1.
What is the InChIKey of 1-(6-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine?
The InChIKey is JPKCERCSZYFWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-5-17-9-6-7-10-11(8-9)18-13(16-10)12(15)14(2,3)4/h6-8,12H,5,15H2,1-4H3.
What are the key properties of 1-(6-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine?
1-(6-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine has a molecular weight of 264.39 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 79511739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).