1-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylmethanamine

C15H14N2OS — CID 69154883

IUPAC1-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2nc3ccccc3s2)cc1
InChIInChI=1S/C15H14N2OS/c1-16-10-11-6-8-12(9-7-11)18-15-17-13-4-2-3-5-14(13)19-15/h2-9,16H,10H2,1H3
InChIKeyRVBPILVVAOIPAV-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.81
Rot. Bonds4

About 1-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylmethanamine

1-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylmethanamine (PubChem CID 69154883) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylmethanamine
PubChem CID69154883
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name1-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2nc3ccccc3s2)cc1
InChIInChI=1S/C15H14N2OS/c1-16-10-11-6-8-12(9-7-11)18-15-17-13-4-2-3-5-14(13)19-15/h2-9,16H,10H2,1H3
InChIKeyRVBPILVVAOIPAV-UHFFFAOYSA-N
XLogP3.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylmethanamine (CID 69154883) is 1-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylmethanamine is CNCc1ccc(Oc2nc3ccccc3s2)cc1.
What is the InChIKey of 1-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylmethanamine?
The InChIKey is RVBPILVVAOIPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-16-10-11-6-8-12(9-7-11)18-15-17-13-4-2-3-5-14(13)19-15/h2-9,16H,10H2,1H3.
What are the key properties of 1-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylmethanamine?
1-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylmethanamine has a molecular weight of 270.36 g/mol, XLogP of 3.81, 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-yloxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 69154883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).