[4-[(7-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]methanamine

C14H11ClN2OS — CID 141238620

IUPAC[4-[(7-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]methanamine
SMILESNCc1ccc(Oc2nc3cccc(Cl)c3s2)cc1
InChIInChI=1S/C14H11ClN2OS/c15-11-2-1-3-12-13(11)19-14(17-12)18-10-6-4-9(8-16)5-7-10/h1-7H,8,16H2
InChIKeyIGEYQQUTXFQOSI-UHFFFAOYSA-N
MW290.78 g/mol
LogP4.20
Rot. Bonds3

About [4-[(7-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]methanamine

[4-[(7-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]methanamine (PubChem CID 141238620) has the molecular formula C14H11ClN2OS and a molecular weight of 290.78 g/mol. Its IUPAC name is [4-[(7-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(7-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]methanamine
PubChem CID141238620
Molecular FormulaC14H11ClN2OS
Molecular Weight290.78 g/mol
Exact Mass290.03
IUPAC Name[4-[(7-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]methanamine
SMILESNCc1ccc(Oc2nc3cccc(Cl)c3s2)cc1
InChIInChI=1S/C14H11ClN2OS/c15-11-2-1-3-12-13(11)19-14(17-12)18-10-6-4-9(8-16)5-7-10/h1-7H,8,16H2
InChIKeyIGEYQQUTXFQOSI-UHFFFAOYSA-N
XLogP4.20
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(7-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]methanamine?
The IUPAC name of [4-[(7-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]methanamine (CID 141238620) is [4-[(7-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]methanamine.
What is the SMILES notation for [4-[(7-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]methanamine?
The canonical SMILES for [4-[(7-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]methanamine is NCc1ccc(Oc2nc3cccc(Cl)c3s2)cc1.
What is the InChIKey of [4-[(7-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]methanamine?
The InChIKey is IGEYQQUTXFQOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS/c15-11-2-1-3-12-13(11)19-14(17-12)18-10-6-4-9(8-16)5-7-10/h1-7H,8,16H2.
What are the key properties of [4-[(7-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]methanamine?
[4-[(7-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]methanamine has a molecular weight of 290.78 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(7-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]methanamine is sourced from PubChem (CID 141238620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).