2-(6-phenylmethoxy-1,3-benzothiazol-2-yl)ethanamine

C16H16N2OS — CID 39106719

IUPAC2-(6-phenylmethoxy-1,3-benzothiazol-2-yl)ethanamine
SMILESNCCc1nc2ccc(OCc3ccccc3)cc2s1
InChIInChI=1S/C16H16N2OS/c17-9-8-16-18-14-7-6-13(10-15(14)20-16)19-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11,17H2
InChIKeyVNFFDDRTWDKKDG-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.38
Rot. Bonds5

About 2-(6-phenylmethoxy-1,3-benzothiazol-2-yl)ethanamine

2-(6-phenylmethoxy-1,3-benzothiazol-2-yl)ethanamine (PubChem CID 39106719) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(6-phenylmethoxy-1,3-benzothiazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(6-phenylmethoxy-1,3-benzothiazol-2-yl)ethanamine
PubChem CID39106719
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name2-(6-phenylmethoxy-1,3-benzothiazol-2-yl)ethanamine
SMILESNCCc1nc2ccc(OCc3ccccc3)cc2s1
InChIInChI=1S/C16H16N2OS/c17-9-8-16-18-14-7-6-13(10-15(14)20-16)19-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11,17H2
InChIKeyVNFFDDRTWDKKDG-UHFFFAOYSA-N
XLogP3.38
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methoxy-1,3-benzothiazol-2-yl)ethanamine
CID 39106649
N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine
CID 82549612
3-(6-ethoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106663
3-[(2-butyl-1,3-benzothiazol-6-yl)oxy]propan-1-amine
CID 82189964
6-(6-phenylmethoxynaphthalen-2-yl)-1,3-benzothiazol-2-amine
CID 59282886
3-(6-hexoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39107285
1,3-benzothiazol-2-ylmethyl 3-phenylmethoxybenzoate
CID 7240035
3-[(2-ethyl-1,3-benzothiazol-6-yl)oxy]propan-1-amine
CID 82189832
6-[(4-fluorophenyl)methoxy]-1,3-benzothiazol-2-amine
CID 17244955
2-(3-aminopropyl)-1,3-benzothiazol-6-ol
CID 39106581
2-benzyl-6-(trifluoromethoxy)-1,3-benzothiazole
CID 156595781
2-[4-(6-phenylmethoxy-1-benzothiophen-2-yl)phenoxy]ethanamine
CID 57244323

Frequently Asked Questions

What is the IUPAC name of 2-(6-phenylmethoxy-1,3-benzothiazol-2-yl)ethanamine?
The IUPAC name of 2-(6-phenylmethoxy-1,3-benzothiazol-2-yl)ethanamine (CID 39106719) is 2-(6-phenylmethoxy-1,3-benzothiazol-2-yl)ethanamine.
What is the SMILES notation for 2-(6-phenylmethoxy-1,3-benzothiazol-2-yl)ethanamine?
The canonical SMILES for 2-(6-phenylmethoxy-1,3-benzothiazol-2-yl)ethanamine is NCCc1nc2ccc(OCc3ccccc3)cc2s1.
What is the InChIKey of 2-(6-phenylmethoxy-1,3-benzothiazol-2-yl)ethanamine?
The InChIKey is VNFFDDRTWDKKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c17-9-8-16-18-14-7-6-13(10-15(14)20-16)19-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11,17H2.
What are the key properties of 2-(6-phenylmethoxy-1,3-benzothiazol-2-yl)ethanamine?
2-(6-phenylmethoxy-1,3-benzothiazol-2-yl)ethanamine has a molecular weight of 284.38 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenylmethoxy-1,3-benzothiazol-2-yl)ethanamine is sourced from PubChem (CID 39106719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).