[4-(2,1-benzothiazol-3-yloxy)-3-methoxyphenyl]methanamine

C15H14N2O2S — CID 66356378

IUPAC[4-(2,1-benzothiazol-3-yloxy)-3-methoxyphenyl]methanamine
SMILESCOc1cc(CN)ccc1Oc1snc2ccccc12
InChIInChI=1S/C15H14N2O2S/c1-18-14-8-10(9-16)6-7-13(14)19-15-11-4-2-3-5-12(11)17-20-15/h2-8H,9,16H2,1H3
InChIKeyJMCTYMMIDJNMON-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.56
Rot. Bonds4

About [4-(2,1-benzothiazol-3-yloxy)-3-methoxyphenyl]methanamine

[4-(2,1-benzothiazol-3-yloxy)-3-methoxyphenyl]methanamine (PubChem CID 66356378) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is [4-(2,1-benzothiazol-3-yloxy)-3-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[4-(2,1-benzothiazol-3-yloxy)-3-methoxyphenyl]methanamine
PubChem CID66356378
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name[4-(2,1-benzothiazol-3-yloxy)-3-methoxyphenyl]methanamine
SMILESCOc1cc(CN)ccc1Oc1snc2ccccc12
InChIInChI=1S/C15H14N2O2S/c1-18-14-8-10(9-16)6-7-13(14)19-15-11-4-2-3-5-12(11)17-20-15/h2-8H,9,16H2,1H3
InChIKeyJMCTYMMIDJNMON-UHFFFAOYSA-N
XLogP3.56
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2,1-benzothiazol-3-yloxy)-3-methoxyphenyl]methanamine?
The IUPAC name of [4-(2,1-benzothiazol-3-yloxy)-3-methoxyphenyl]methanamine (CID 66356378) is [4-(2,1-benzothiazol-3-yloxy)-3-methoxyphenyl]methanamine.
What is the SMILES notation for [4-(2,1-benzothiazol-3-yloxy)-3-methoxyphenyl]methanamine?
The canonical SMILES for [4-(2,1-benzothiazol-3-yloxy)-3-methoxyphenyl]methanamine is COc1cc(CN)ccc1Oc1snc2ccccc12.
What is the InChIKey of [4-(2,1-benzothiazol-3-yloxy)-3-methoxyphenyl]methanamine?
The InChIKey is JMCTYMMIDJNMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-18-14-8-10(9-16)6-7-13(14)19-15-11-4-2-3-5-12(11)17-20-15/h2-8H,9,16H2,1H3.
What are the key properties of [4-(2,1-benzothiazol-3-yloxy)-3-methoxyphenyl]methanamine?
[4-(2,1-benzothiazol-3-yloxy)-3-methoxyphenyl]methanamine has a molecular weight of 286.36 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,1-benzothiazol-3-yloxy)-3-methoxyphenyl]methanamine is sourced from PubChem (CID 66356378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).