7-chloro-6-(2-chlorophenoxy)-1,3-benzothiazol-2-amine

C13H8Cl2N2OS — CID 166690053

IUPAC7-chloro-6-(2-chlorophenoxy)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(Oc3ccccc3Cl)c(Cl)c2s1
InChIInChI=1S/C13H8Cl2N2OS/c14-7-3-1-2-4-9(7)18-10-6-5-8-12(11(10)15)19-13(16)17-8/h1-6H,(H2,16,17)
InChIKeyZVIRRAZAZSASAB-UHFFFAOYSA-N
MW311.19 g/mol
LogP4.98
Rot. Bonds2

About 7-chloro-6-(2-chlorophenoxy)-1,3-benzothiazol-2-amine

7-chloro-6-(2-chlorophenoxy)-1,3-benzothiazol-2-amine (PubChem CID 166690053) has the molecular formula C13H8Cl2N2OS and a molecular weight of 311.19 g/mol. Its IUPAC name is 7-chloro-6-(2-chlorophenoxy)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-chloro-6-(2-chlorophenoxy)-1,3-benzothiazol-2-amine
PubChem CID166690053
Molecular FormulaC13H8Cl2N2OS
Molecular Weight311.19 g/mol
Exact Mass309.97
IUPAC Name7-chloro-6-(2-chlorophenoxy)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(Oc3ccccc3Cl)c(Cl)c2s1
InChIInChI=1S/C13H8Cl2N2OS/c14-7-3-1-2-4-9(7)18-10-6-5-8-12(11(10)15)19-13(16)17-8/h1-6H,(H2,16,17)
InChIKeyZVIRRAZAZSASAB-UHFFFAOYSA-N
XLogP4.98
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chlorophenoxy)pyridin-3-amine
CID 28890150
[4-chloro-2-(2-chlorophenoxy)-1,3-thiazol-5-yl]methanamine
CID 117258710
5-(2-chlorophenoxy)pyrimidine
CID 117231306
7-chloro-6-methoxy-2-methyl-1,3-benzothiazole
CID 134106377
2-amino-7-[(2-amino-7-chloro-1,3-benzothiazol-4-yl)oxy]-1,3-benzothiazol-4-ol
CID 138714126
azane;1-chloro-2-phenoxybenzene
CID 68980819
5-(2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
CID 139330298
1-chloro-2-(chloromethyl)-3-(2-chlorophenoxy)benzene
CID 28947164
4-chloro-6-(2-chlorophenoxy)pyrimidin-5-amine
CID 46172362
2-(2-chlorophenoxy)-6-fluoroaniline
CID 60790440
2-chloro-4-(2-chlorophenoxy)-6-methylpyrimidin-5-amine
CID 114044060
3,6-dichloro-5-(2-chlorophenoxy)-1,2,4-triazine
CID 81036257

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-(2-chlorophenoxy)-1,3-benzothiazol-2-amine?
The IUPAC name of 7-chloro-6-(2-chlorophenoxy)-1,3-benzothiazol-2-amine (CID 166690053) is 7-chloro-6-(2-chlorophenoxy)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-chloro-6-(2-chlorophenoxy)-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-chloro-6-(2-chlorophenoxy)-1,3-benzothiazol-2-amine is Nc1nc2ccc(Oc3ccccc3Cl)c(Cl)c2s1.
What is the InChIKey of 7-chloro-6-(2-chlorophenoxy)-1,3-benzothiazol-2-amine?
The InChIKey is ZVIRRAZAZSASAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2OS/c14-7-3-1-2-4-9(7)18-10-6-5-8-12(11(10)15)19-13(16)17-8/h1-6H,(H2,16,17).
What are the key properties of 7-chloro-6-(2-chlorophenoxy)-1,3-benzothiazol-2-amine?
7-chloro-6-(2-chlorophenoxy)-1,3-benzothiazol-2-amine has a molecular weight of 311.19 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-(2-chlorophenoxy)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 166690053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).