1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine

C16H16N2OS — CID 104630917

IUPAC1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OCc2nc3ccccc3s2)cc1
InChIInChI=1S/C16H16N2OS/c1-11(17)12-6-8-13(9-7-12)19-10-16-18-14-4-2-3-5-15(14)20-16/h2-9,11H,10,17H2,1H3
InChIKeyHZYYGSMNTHNEFY-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.89
Rot. Bonds4

About 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine

1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine (PubChem CID 104630917) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine
PubChem CID104630917
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OCc2nc3ccccc3s2)cc1
InChIInChI=1S/C16H16N2OS/c1-11(17)12-6-8-13(9-7-12)19-10-16-18-14-4-2-3-5-15(14)20-16/h2-9,11H,10,17H2,1H3
InChIKeyHZYYGSMNTHNEFY-UHFFFAOYSA-N
XLogP3.89
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine
CID 104630920
2-[[4-(2-methylpropoxy)phenoxy]methyl]-1,3-benzothiazole
CID 72705954
2-[4-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]phenyl]propanoic acid
CID 18956577
[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]hydrazine
CID 139801727
2-[[4-(6-methyl-2-pyridinyl)phenoxy]methyl]-1,3-benzothiazole
CID 139801734
N-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]ethanamine
CID 104630931
2-[[4-(1,3-thiazol-4-yl)phenoxy]methyl]-1,3-benzothiazole
CID 139801893
[4-(1,3-benzothiazol-2-ylmethoxy)phenyl] N-methylcarbamate
CID 22442661
1-[1-[4-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]-3-fluorophenyl]ethyl]-1-hydroxyurea
CID 18956572
(1S)-1-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]propan-1-amine
CID 104630959
2-(1,3-benzothiazol-2-yl)-1-(4-ethoxyphenyl)ethanol
CID 66461067
2-[2-bromo-2-(4-ethoxyphenyl)ethyl]-1,3-benzothiazole
CID 66460052

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine (CID 104630917) is 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine is CC(N)c1ccc(OCc2nc3ccccc3s2)cc1.
What is the InChIKey of 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine?
The InChIKey is HZYYGSMNTHNEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-11(17)12-6-8-13(9-7-12)19-10-16-18-14-4-2-3-5-15(14)20-16/h2-9,11H,10,17H2,1H3.
What are the key properties of 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine?
1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine has a molecular weight of 284.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 104630917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).