N-cyclohexyl-6-(8-fluoroquinolin-4-yl)oxy-1,3-benzothiazol-2-amine

C22H20FN3OS — CID 89325762

IUPACN-cyclohexyl-6-(8-fluoroquinolin-4-yl)oxy-1,3-benzothiazol-2-amine
SMILESFc1cccc2c(Oc3ccc4nc(NC5CCCCC5)sc4c3)ccnc12
InChIInChI=1S/C22H20FN3OS/c23-17-8-4-7-16-19(11-12-24-21(16)17)27-15-9-10-18-20(13-15)28-22(26-18)25-14-5-2-1-3-6-14/h4,7-14H,1-3,5-6H2,(H,25,26)
InChIKeyNBJDBTSVFRJIIP-UHFFFAOYSA-N
MW393.49 g/mol
LogP6.52
Rot. Bonds4

About N-cyclohexyl-6-(8-fluoroquinolin-4-yl)oxy-1,3-benzothiazol-2-amine

N-cyclohexyl-6-(8-fluoroquinolin-4-yl)oxy-1,3-benzothiazol-2-amine (PubChem CID 89325762) has the molecular formula C22H20FN3OS and a molecular weight of 393.49 g/mol. Its IUPAC name is N-cyclohexyl-6-(8-fluoroquinolin-4-yl)oxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-(8-fluoroquinolin-4-yl)oxy-1,3-benzothiazol-2-amine
PubChem CID89325762
Molecular FormulaC22H20FN3OS
Molecular Weight393.49 g/mol
Exact Mass393.13
IUPAC NameN-cyclohexyl-6-(8-fluoroquinolin-4-yl)oxy-1,3-benzothiazol-2-amine
SMILESFc1cccc2c(Oc3ccc4nc(NC5CCCCC5)sc4c3)ccnc12
InChIInChI=1S/C22H20FN3OS/c23-17-8-4-7-16-19(11-12-24-21(16)17)27-15-9-10-18-20(13-15)28-22(26-18)25-14-5-2-1-3-6-14/h4,7-14H,1-3,5-6H2,(H,25,26)
InChIKeyNBJDBTSVFRJIIP-UHFFFAOYSA-N
XLogP6.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(8-fluoroquinolin-4-yl)oxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-cyclohexyl-6-(8-fluoroquinolin-4-yl)oxy-1,3-benzothiazol-2-amine (CID 89325762) is N-cyclohexyl-6-(8-fluoroquinolin-4-yl)oxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-6-(8-fluoroquinolin-4-yl)oxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-cyclohexyl-6-(8-fluoroquinolin-4-yl)oxy-1,3-benzothiazol-2-amine is Fc1cccc2c(Oc3ccc4nc(NC5CCCCC5)sc4c3)ccnc12.
What is the InChIKey of N-cyclohexyl-6-(8-fluoroquinolin-4-yl)oxy-1,3-benzothiazol-2-amine?
The InChIKey is NBJDBTSVFRJIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3OS/c23-17-8-4-7-16-19(11-12-24-21(16)17)27-15-9-10-18-20(13-15)28-22(26-18)25-14-5-2-1-3-6-14/h4,7-14H,1-3,5-6H2,(H,25,26).
What are the key properties of N-cyclohexyl-6-(8-fluoroquinolin-4-yl)oxy-1,3-benzothiazol-2-amine?
N-cyclohexyl-6-(8-fluoroquinolin-4-yl)oxy-1,3-benzothiazol-2-amine has a molecular weight of 393.49 g/mol, XLogP of 6.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(8-fluoroquinolin-4-yl)oxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 89325762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).