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

C13H18N2OS — CID 81072937

IUPAC3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
SMILESCCOc1ccc2nc(CC(C)CN)sc2c1
InChIInChI=1S/C13H18N2OS/c1-3-16-10-4-5-11-12(7-10)17-13(15-11)6-9(2)8-14/h4-5,7,9H,3,6,8,14H2,1-2H3
InChIKeyKINWCPXSGLOWRL-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.83
Rot. Bonds5

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

3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine (PubChem CID 81072937) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
PubChem CID81072937
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
SMILESCCOc1ccc2nc(CC(C)CN)sc2c1
InChIInChI=1S/C13H18N2OS/c1-3-16-10-4-5-11-12(7-10)17-13(15-11)6-9(2)8-14/h4-5,7,9H,3,6,8,14H2,1-2H3
InChIKeyKINWCPXSGLOWRL-UHFFFAOYSA-N
XLogP2.83
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-ethoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106663
3-(6-bromo-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
CID 81073032
1-[[2-(2-methylpropyl)-1,3-benzothiazol-6-yl]oxy]butan-2-amine
CID 82189930
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
3-[(2-ethyl-1,3-benzothiazol-6-yl)oxy]propan-1-amine
CID 82189832
2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
CID 113308023
1-(6-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine
CID 79511739
6-ethoxy-2-[(6-ethoxy-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
CID 22748454
2-amino-2-(6-ethoxy-1,3-benzothiazol-2-yl)ethanol
CID 79518392
3-[(2-butyl-1,3-benzothiazol-6-yl)oxy]propan-1-amine
CID 82189964
N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)ethyl]propan-1-amine
CID 79873288

Frequently Asked Questions

What is the IUPAC name of 3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine (CID 81072937) is 3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine is CCOc1ccc2nc(CC(C)CN)sc2c1.
What is the InChIKey of 3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine?
The InChIKey is KINWCPXSGLOWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-3-16-10-4-5-11-12(7-10)17-13(15-11)6-9(2)8-14/h4-5,7,9H,3,6,8,14H2,1-2H3.
What are the key properties of 3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine?
3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine has a molecular weight of 250.37 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 81072937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).