N-cyclohexyl-6-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine

C23H24FN5OS — CID 89325749

IUPACN-cyclohexyl-6-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
SMILESFCCn1cc(-c2cc(Oc3ccc4nc(NC5CCCCC5)sc4c3)ccn2)cn1
InChIInChI=1S/C23H24FN5OS/c24-9-11-29-15-16(14-26-29)21-12-19(8-10-25-21)30-18-6-7-20-22(13-18)31-23(28-20)27-17-4-2-1-3-5-17/h6-8,10,12-15,17H,1-5,9,11H2,(H,27,28)
InChIKeyURFWCIVSHAWSGA-UHFFFAOYSA-N
MW437.54 g/mol
LogP6.06
Rot. Bonds7

About N-cyclohexyl-6-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine

N-cyclohexyl-6-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine (PubChem CID 89325749) has the molecular formula C23H24FN5OS and a molecular weight of 437.54 g/mol. Its IUPAC name is N-cyclohexyl-6-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
PubChem CID89325749
Molecular FormulaC23H24FN5OS
Molecular Weight437.54 g/mol
Exact Mass437.17
IUPAC NameN-cyclohexyl-6-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
SMILESFCCn1cc(-c2cc(Oc3ccc4nc(NC5CCCCC5)sc4c3)ccn2)cn1
InChIInChI=1S/C23H24FN5OS/c24-9-11-29-15-16(14-26-29)21-12-19(8-10-25-21)30-18-6-7-20-22(13-18)31-23(28-20)27-17-4-2-1-3-5-17/h6-8,10,12-15,17H,1-5,9,11H2,(H,27,28)
InChIKeyURFWCIVSHAWSGA-UHFFFAOYSA-N
XLogP6.06
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cyclohexyl-6-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine?
The IUPAC name of N-cyclohexyl-6-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine (CID 89325749) is N-cyclohexyl-6-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-6-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-cyclohexyl-6-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine is FCCn1cc(-c2cc(Oc3ccc4nc(NC5CCCCC5)sc4c3)ccn2)cn1.
What is the InChIKey of N-cyclohexyl-6-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine?
The InChIKey is URFWCIVSHAWSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5OS/c24-9-11-29-15-16(14-26-29)21-12-19(8-10-25-21)30-18-6-7-20-22(13-18)31-23(28-20)27-17-4-2-1-3-5-17/h6-8,10,12-15,17H,1-5,9,11H2,(H,27,28).
What are the key properties of N-cyclohexyl-6-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine?
N-cyclohexyl-6-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine has a molecular weight of 437.54 g/mol, XLogP of 6.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 89325749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).