6-(2-chloro-4-fluorophenoxy)-4-methoxy-1,3-benzothiazol-2-amine

C14H10ClFN2O2S — CID 139337657

IUPAC6-(2-chloro-4-fluorophenoxy)-4-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1cc(Oc2ccc(F)cc2Cl)cc2sc(N)nc12
InChIInChI=1S/C14H10ClFN2O2S/c1-19-11-5-8(6-12-13(11)18-14(17)21-12)20-10-3-2-7(16)4-9(10)15/h2-6H,1H3,(H2,17,18)
InChIKeyUAHAJYABAUGAJW-UHFFFAOYSA-N
MW324.76 g/mol
LogP4.47
Rot. Bonds3

About 6-(2-chloro-4-fluorophenoxy)-4-methoxy-1,3-benzothiazol-2-amine

6-(2-chloro-4-fluorophenoxy)-4-methoxy-1,3-benzothiazol-2-amine (PubChem CID 139337657) has the molecular formula C14H10ClFN2O2S and a molecular weight of 324.76 g/mol. Its IUPAC name is 6-(2-chloro-4-fluorophenoxy)-4-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(2-chloro-4-fluorophenoxy)-4-methoxy-1,3-benzothiazol-2-amine
PubChem CID139337657
Molecular FormulaC14H10ClFN2O2S
Molecular Weight324.76 g/mol
Exact Mass324.01
IUPAC Name6-(2-chloro-4-fluorophenoxy)-4-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1cc(Oc2ccc(F)cc2Cl)cc2sc(N)nc12
InChIInChI=1S/C14H10ClFN2O2S/c1-19-11-5-8(6-12-13(11)18-14(17)21-12)20-10-3-2-7(16)4-9(10)15/h2-6H,1H3,(H2,17,18)
InChIKeyUAHAJYABAUGAJW-UHFFFAOYSA-N
XLogP4.47
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-fluorophenoxy)-4-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(2-chloro-4-fluorophenoxy)-4-methoxy-1,3-benzothiazol-2-amine (CID 139337657) is 6-(2-chloro-4-fluorophenoxy)-4-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(2-chloro-4-fluorophenoxy)-4-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(2-chloro-4-fluorophenoxy)-4-methoxy-1,3-benzothiazol-2-amine is COc1cc(Oc2ccc(F)cc2Cl)cc2sc(N)nc12.
What is the InChIKey of 6-(2-chloro-4-fluorophenoxy)-4-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is UAHAJYABAUGAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O2S/c1-19-11-5-8(6-12-13(11)18-14(17)21-12)20-10-3-2-7(16)4-9(10)15/h2-6H,1H3,(H2,17,18).
What are the key properties of 6-(2-chloro-4-fluorophenoxy)-4-methoxy-1,3-benzothiazol-2-amine?
6-(2-chloro-4-fluorophenoxy)-4-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 324.76 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-fluorophenoxy)-4-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 139337657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).