[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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(1S,5R)-8-[2-[4-[(7-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide
CID 163735422
[4-(2-chlorophenoxy)phenyl]methanamine
CID 5152206
2-(4-chlorophenoxy)-1,3-benzothiazole
CID 11837172
[4-(1,3-benzothiazol-2-yloxy)-2-chlorophenyl]methanamine
CID 102724687
7-chloro-2-[4-[2-[(1R,4S)-5-methylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]phenoxy]-1,3-benzothiazole
CID 54575536
3-(7-chloro-1,3-benzothiazol-2-yl)-2-methoxypropan-1-amine
CID 103157437
2-[3-(7-chloro-1,3-benzothiazol-2-yl)phenyl]ethanamine
CID 55237049
(4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine
CID 69469244
1-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylmethanamine
CID 69154883
7-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 14988135
[4-chloro-2-(2-chlorophenoxy)-1,3-thiazol-5-yl]methanamine
CID 117258710
[4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]methanamine
CID 114450122

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).