2,6-dichloro-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline

C14H10Cl2N2OS — CID 82830716

IUPAC2,6-dichloro-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline
SMILESCOc1ccc2nc(-c3cc(Cl)c(N)c(Cl)c3)sc2c1
InChIInChI=1S/C14H10Cl2N2OS/c1-19-8-2-3-11-12(6-8)20-14(18-11)7-4-9(15)13(17)10(16)5-7/h2-6H,17H2,1H3
InChIKeyQHCNMUNGBGDWBG-UHFFFAOYSA-N
MW325.22 g/mol
LogP4.86
Rot. Bonds2

About 2,6-dichloro-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline

2,6-dichloro-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline (PubChem CID 82830716) has the molecular formula C14H10Cl2N2OS and a molecular weight of 325.22 g/mol. Its IUPAC name is 2,6-dichloro-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline.

Molecular Properties

Compound Name2,6-dichloro-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline
PubChem CID82830716
Molecular FormulaC14H10Cl2N2OS
Molecular Weight325.22 g/mol
Exact Mass323.99
IUPAC Name2,6-dichloro-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline
SMILESCOc1ccc2nc(-c3cc(Cl)c(N)c(Cl)c3)sc2c1
InChIInChI=1S/C14H10Cl2N2OS/c1-19-8-2-3-11-12(6-8)20-14(18-11)7-4-9(15)13(17)10(16)5-7/h2-6H,17H2,1H3
InChIKeyQHCNMUNGBGDWBG-UHFFFAOYSA-N
XLogP4.86
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 54.86
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

5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine
CID 24804069
2-(4-tert-butylphenyl)-6-methoxy-1,3-benzothiazole
CID 101474681
2,6-dichloro-4-(6-ethyl-1,3-benzothiazol-2-yl)aniline
CID 54858964
6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 11255311
2-iodo-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline;4-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 160555222
2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole
CID 146253203
6-methoxy-2-[4-[10-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3-benzothiazole
CID 22960185
2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole
CID 12939261
2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole
CID 58983612
6-methoxy-2-(3-methylphenyl)-1,3-benzothiazole
CID 25232186
CID 158604119
CID 158604119
5-(6-methoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine
CID 79511841

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline?
The IUPAC name of 2,6-dichloro-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline (CID 82830716) is 2,6-dichloro-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline.
What is the SMILES notation for 2,6-dichloro-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline?
The canonical SMILES for 2,6-dichloro-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline is COc1ccc2nc(-c3cc(Cl)c(N)c(Cl)c3)sc2c1.
What is the InChIKey of 2,6-dichloro-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline?
The InChIKey is QHCNMUNGBGDWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2OS/c1-19-8-2-3-11-12(6-8)20-14(18-11)7-4-9(15)13(17)10(16)5-7/h2-6H,17H2,1H3.
What are the key properties of 2,6-dichloro-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline?
2,6-dichloro-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline has a molecular weight of 325.22 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline is sourced from PubChem (CID 82830716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).