6-(3,5-dichlorophenoxy)-1,3-benzothiazol-2-amine

C13H8Cl2N2OS — CID 139337544

IUPAC6-(3,5-dichlorophenoxy)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(Oc3cc(Cl)cc(Cl)c3)cc2s1
InChIInChI=1S/C13H8Cl2N2OS/c14-7-3-8(15)5-10(4-7)18-9-1-2-11-12(6-9)19-13(16)17-11/h1-6H,(H2,16,17)
InChIKeyVMWDBUJFZRUPQZ-UHFFFAOYSA-N
MW311.19 g/mol
LogP4.98
Rot. Bonds2

About 6-(3,5-dichlorophenoxy)-1,3-benzothiazol-2-amine

6-(3,5-dichlorophenoxy)-1,3-benzothiazol-2-amine (PubChem CID 139337544) has the molecular formula C13H8Cl2N2OS and a molecular weight of 311.19 g/mol. Its IUPAC name is 6-(3,5-dichlorophenoxy)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(3,5-dichlorophenoxy)-1,3-benzothiazol-2-amine
PubChem CID139337544
Molecular FormulaC13H8Cl2N2OS
Molecular Weight311.19 g/mol
Exact Mass309.97
IUPAC Name6-(3,5-dichlorophenoxy)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(Oc3cc(Cl)cc(Cl)c3)cc2s1
InChIInChI=1S/C13H8Cl2N2OS/c14-7-3-8(15)5-10(4-7)18-9-1-2-11-12(6-9)19-13(16)17-11/h1-6H,(H2,16,17)
InChIKeyVMWDBUJFZRUPQZ-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

6-[(2-chloro-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine
CID 89325859
CID 158604119
CID 158604119
(2-amino-1,3-benzothiazol-6-yl) 2,4,6-trichlorobenzenesulfonate
CID 87123551
6-naphthalen-1-yloxy-1,3-benzothiazol-2-amine
CID 91679953
6-(4-chlorophenoxy)-2-methyl-1,3-benzothiazole
CID 134093726
6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride
CID 6419992
6-(2-fluoroethoxy)-1,3-benzothiazol-2-amine
CID 59282924
6-(1,1-difluoroethoxy)-1,3-benzothiazol-2-amine
CID 89211366
2-amino-6-fluorosulfonyloxy-1,3-benzothiazole
CID 118566745
6-[(2-chloro-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine;4-methylpentan-1-ol
CID 143564368
6-(6,7-dimethoxynaphthalen-1-yl)oxy-1,3-benzothiazol-2-amine
CID 130443924
6-hydrazinyl-1,3-benzothiazol-2-amine
CID 116994182

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dichlorophenoxy)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(3,5-dichlorophenoxy)-1,3-benzothiazol-2-amine (CID 139337544) is 6-(3,5-dichlorophenoxy)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(3,5-dichlorophenoxy)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(3,5-dichlorophenoxy)-1,3-benzothiazol-2-amine is Nc1nc2ccc(Oc3cc(Cl)cc(Cl)c3)cc2s1.
What is the InChIKey of 6-(3,5-dichlorophenoxy)-1,3-benzothiazol-2-amine?
The InChIKey is VMWDBUJFZRUPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2OS/c14-7-3-8(15)5-10(4-7)18-9-1-2-11-12(6-9)19-13(16)17-11/h1-6H,(H2,16,17).
What are the key properties of 6-(3,5-dichlorophenoxy)-1,3-benzothiazol-2-amine?
6-(3,5-dichlorophenoxy)-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 6-(3,5-dichlorophenoxy)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 139337544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).