N-cyclohexyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-amine

C24H25N3O3S — CID 89325887

IUPACN-cyclohexyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-amine
SMILESCOc1cc2nccc(Oc3ccc4nc(NC5CCCCC5)sc4c3)c2cc1OC
InChIInChI=1S/C24H25N3O3S/c1-28-21-13-17-19(14-22(21)29-2)25-11-10-20(17)30-16-8-9-18-23(12-16)31-24(27-18)26-15-6-4-3-5-7-15/h8-15H,3-7H2,1-2H3,(H,26,27)
InChIKeyFVGDSIBCRGTTJK-UHFFFAOYSA-N
MW435.55 g/mol
LogP6.40
Rot. Bonds6

About N-cyclohexyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-amine

N-cyclohexyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-amine (PubChem CID 89325887) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-cyclohexyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-amine
PubChem CID89325887
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN-cyclohexyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-amine
SMILESCOc1cc2nccc(Oc3ccc4nc(NC5CCCCC5)sc4c3)c2cc1OC
InChIInChI=1S/C24H25N3O3S/c1-28-21-13-17-19(14-22(21)29-2)25-11-10-20(17)30-16-8-9-18-23(12-16)31-24(27-18)26-15-6-4-3-5-7-15/h8-15H,3-7H2,1-2H3,(H,26,27)
InChIKeyFVGDSIBCRGTTJK-UHFFFAOYSA-N
XLogP6.40
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.55
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908893
N-cyclohexyl-6-(8-fluoroquinolin-4-yl)oxy-1,3-benzothiazol-2-amine
CID 89325762
N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908963
N-cyclohexyl-6-[[5-(5-methoxy-3-pyridinyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89225564
N-cyclohexyl-6-[(2-pyridin-2-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine
CID 89325661
N-cyclohexyl-6-[[2-(2-cyclopropylethynyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 143564351
N-cyclohexyl-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89325676
N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine
CID 78908885
5-chloro-N-cyclohexyl-6-methoxy-1,3-benzothiazol-2-amine
CID 82549300
[6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-yl]-thiophen-3-ylmethanamine
CID 69019559
(2S)-1-cyclohexyl-2-[(6-quinolin-4-yloxy-1,3-benzothiazol-2-yl)amino]propan-2-ol
CID 87421206
N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908969

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-cyclohexyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-amine (CID 89325887) is N-cyclohexyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-cyclohexyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-amine is COc1cc2nccc(Oc3ccc4nc(NC5CCCCC5)sc4c3)c2cc1OC.
What is the InChIKey of N-cyclohexyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-amine?
The InChIKey is FVGDSIBCRGTTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-28-21-13-17-19(14-22(21)29-2)25-11-10-20(17)30-16-8-9-18-23(12-16)31-24(27-18)26-15-6-4-3-5-7-15/h8-15H,3-7H2,1-2H3,(H,26,27).
What are the key properties of N-cyclohexyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-amine?
N-cyclohexyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-amine has a molecular weight of 435.55 g/mol, XLogP of 6.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 89325887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).