N-cyclohexyl-6-[[5-(4-fluorophenyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine

C24H22FN3OS — CID 89225496

IUPACN-cyclohexyl-6-[[5-(4-fluorophenyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine
SMILESFc1ccc(-c2cncc(Oc3ccc4nc(NC5CCCCC5)sc4c3)c2)cc1
InChIInChI=1S/C24H22FN3OS/c25-18-8-6-16(7-9-18)17-12-21(15-26-14-17)29-20-10-11-22-23(13-20)30-24(28-22)27-19-4-2-1-3-5-19/h6-15,19H,1-5H2,(H,27,28)
InChIKeyCOUHUHNZKVTMBZ-UHFFFAOYSA-N
MW419.53 g/mol
LogP7.03
Rot. Bonds5

About N-cyclohexyl-6-[[5-(4-fluorophenyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine

N-cyclohexyl-6-[[5-(4-fluorophenyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine (PubChem CID 89225496) has the molecular formula C24H22FN3OS and a molecular weight of 419.53 g/mol. Its IUPAC name is N-cyclohexyl-6-[[5-(4-fluorophenyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-[[5-(4-fluorophenyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine
PubChem CID89225496
Molecular FormulaC24H22FN3OS
Molecular Weight419.53 g/mol
Exact Mass419.15
IUPAC NameN-cyclohexyl-6-[[5-(4-fluorophenyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine
SMILESFc1ccc(-c2cncc(Oc3ccc4nc(NC5CCCCC5)sc4c3)c2)cc1
InChIInChI=1S/C24H22FN3OS/c25-18-8-6-16(7-9-18)17-12-21(15-26-14-17)29-20-10-11-22-23(13-20)30-24(28-22)27-19-4-2-1-3-5-19/h6-15,19H,1-5H2,(H,27,28)
InChIKeyCOUHUHNZKVTMBZ-UHFFFAOYSA-N
XLogP7.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-6-[[5-(5-methoxy-3-pyridinyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89225564
N-cyclohexyl-6-[[5-(1,3-thiazol-5-yl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89225501
N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908893
6-[[5,6-bis(6-amino-3-pyridinyl)-3-pyridinyl]oxy]-N-cyclohexyl-1,3-benzothiazol-2-amine
CID 89225517
6-[(6-chloropyrazin-2-yl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine
CID 135156936
N-cyclohexyl-6-[(2-pyridin-2-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine
CID 89325661
N-cyclohexyl-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89325676
N-cyclohexyl-6-[[2-(2-cyclopropylethynyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 143564351
trans-(1R,2R)-2-[[6-[(5-bromo-3-pyridinyl)oxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 25120618
N-cyclohexyl-6-(8-fluoroquinolin-4-yl)oxy-1,3-benzothiazol-2-amine
CID 89325762
trans-(1R,2R)-2-[[6-[[5-(1-ethylpyrazol-4-yl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 59333432
6-[[2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]oxy]-N-cyclohexyl-1,3-benzothiazol-2-amine
CID 89325539

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-[[5-(4-fluorophenyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine?
The IUPAC name of N-cyclohexyl-6-[[5-(4-fluorophenyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine (CID 89225496) is N-cyclohexyl-6-[[5-(4-fluorophenyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-6-[[5-(4-fluorophenyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-cyclohexyl-6-[[5-(4-fluorophenyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine is Fc1ccc(-c2cncc(Oc3ccc4nc(NC5CCCCC5)sc4c3)c2)cc1.
What is the InChIKey of N-cyclohexyl-6-[[5-(4-fluorophenyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine?
The InChIKey is COUHUHNZKVTMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3OS/c25-18-8-6-16(7-9-18)17-12-21(15-26-14-17)29-20-10-11-22-23(13-20)30-24(28-22)27-19-4-2-1-3-5-19/h6-15,19H,1-5H2,(H,27,28).
What are the key properties of N-cyclohexyl-6-[[5-(4-fluorophenyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine?
N-cyclohexyl-6-[[5-(4-fluorophenyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine has a molecular weight of 419.53 g/mol, XLogP of 7.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-[[5-(4-fluorophenyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 89225496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).