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

C13H18N2OS — CID 113308023

IUPAC2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
SMILESCCOc1ccc2nc(C(C)(C)CN)sc2c1
InChIInChI=1S/C13H18N2OS/c1-4-16-9-5-6-10-11(7-9)17-12(15-10)13(2,3)8-14/h5-7H,4,8,14H2,1-3H3
InChIKeyZSTFIRAYWMNPEY-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.93
Rot. Bonds4

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

2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine (PubChem CID 113308023) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
PubChem CID113308023
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
SMILESCCOc1ccc2nc(C(C)(C)CN)sc2c1
InChIInChI=1S/C13H18N2OS/c1-4-16-9-5-6-10-11(7-9)17-12(15-10)13(2,3)8-14/h5-7H,4,8,14H2,1-3H3
InChIKeyZSTFIRAYWMNPEY-UHFFFAOYSA-N
XLogP2.93
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanamine
CID 79518771
2-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
CID 84628462
1-(6-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine
CID 79511739
3-(6-ethoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106663
N'-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191696
2-amino-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanol
CID 79518172
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
N'-(6-ethoxy-1,3-benzothiazol-2-yl)-N'-methylethane-1,2-diamine
CID 123503017
4-(6-ethoxy-1,3-benzothiazol-2-yl)pentan-1-amine
CID 113441133
2-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylaniline
CID 79511111
4-(6-ethoxy-1,3-benzothiazol-2-yl)pyridin-2-amine
CID 79519060

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine (CID 113308023) is 2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine is CCOc1ccc2nc(C(C)(C)CN)sc2c1.
What is the InChIKey of 2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine?
The InChIKey is ZSTFIRAYWMNPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-4-16-9-5-6-10-11(7-9)17-12(15-10)13(2,3)8-14/h5-7H,4,8,14H2,1-3H3.
What are the key properties of 2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine?
2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine has a molecular weight of 250.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 113308023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).