5-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxyaniline

C14H11ClN2OS — CID 79527850

IUPAC5-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxyaniline
SMILESCOc1ccc(-c2nc3ccc(Cl)cc3s2)cc1N
InChIInChI=1S/C14H11ClN2OS/c1-18-12-5-2-8(6-10(12)16)14-17-11-4-3-9(15)7-13(11)19-14/h2-7H,16H2,1H3
InChIKeyHNSOVMSRVJEFFD-UHFFFAOYSA-N
MW290.78 g/mol
LogP4.21
Rot. Bonds2

About 5-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxyaniline

5-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxyaniline (PubChem CID 79527850) has the molecular formula C14H11ClN2OS and a molecular weight of 290.78 g/mol. Its IUPAC name is 5-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxyaniline.

Molecular Properties

Compound Name5-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxyaniline
PubChem CID79527850
Molecular FormulaC14H11ClN2OS
Molecular Weight290.78 g/mol
Exact Mass290.03
IUPAC Name5-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxyaniline
SMILESCOc1ccc(-c2nc3ccc(Cl)cc3s2)cc1N
InChIInChI=1S/C14H11ClN2OS/c1-18-12-5-2-8(6-10(12)16)14-17-11-4-3-9(15)7-13(11)19-14/h2-7H,16H2,1H3
InChIKeyHNSOVMSRVJEFFD-UHFFFAOYSA-N
XLogP4.21
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(6-chloro-1,3-benzothiazol-2-yl)-2-methylaniline
CID 45361803
5-chloro-2-(3,4-dimethoxyphenyl)-1,3-benzothiazole
CID 11659503
6-chloro-2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole
CID 134862335
2-(4-chlorophenyl)-1,3-benzothiazol-6-amine
CID 4130152
2,6-dichloro-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 82830716
5-(2,5-dichlorophenyl)-2-methoxyaniline
CID 54971472
2-(3-bromophenyl)-6-chloro-1,3-benzothiazole
CID 95910629
5-chloro-2-methoxyaniline;hydron;chloride
CID 164511506
2-(5-bromo-1-methylpyridin-1-ium-3-yl)-6-chloro-1,3-benzothiazole
CID 100817920
5-(1,3-benzothiazol-2-yl)-2-(methoxymethoxy)aniline
CID 71567260
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 50849900

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxyaniline?
The IUPAC name of 5-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxyaniline (CID 79527850) is 5-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxyaniline.
What is the SMILES notation for 5-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxyaniline?
The canonical SMILES for 5-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxyaniline is COc1ccc(-c2nc3ccc(Cl)cc3s2)cc1N.
What is the InChIKey of 5-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxyaniline?
The InChIKey is HNSOVMSRVJEFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS/c1-18-12-5-2-8(6-10(12)16)14-17-11-4-3-9(15)7-13(11)19-14/h2-7H,16H2,1H3.
What are the key properties of 5-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxyaniline?
5-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxyaniline has a molecular weight of 290.78 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxyaniline is sourced from PubChem (CID 79527850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).