3-[4-(4-cyclohexylpiperazin-1-yl)pentyl]-6-fluoro-1,3-benzothiazol-2-one

C22H32FN3OS — CID 58511937

IUPAC3-[4-(4-cyclohexylpiperazin-1-yl)pentyl]-6-fluoro-1,3-benzothiazol-2-one
SMILESCC(CCCn1c(=O)sc2cc(F)ccc21)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C22H32FN3OS/c1-17(24-12-14-25(15-13-24)19-7-3-2-4-8-19)6-5-11-26-20-10-9-18(23)16-21(20)28-22(26)27/h9-10,16-17,19H,2-8,11-15H2,1H3
InChIKeyAXVCFARJNXIHLD-UHFFFAOYSA-N
MW405.58 g/mol
LogP4.32
Rot. Bonds6

About 3-[4-(4-cyclohexylpiperazin-1-yl)pentyl]-6-fluoro-1,3-benzothiazol-2-one

3-[4-(4-cyclohexylpiperazin-1-yl)pentyl]-6-fluoro-1,3-benzothiazol-2-one (PubChem CID 58511937) has the molecular formula C22H32FN3OS and a molecular weight of 405.58 g/mol. Its IUPAC name is 3-[4-(4-cyclohexylpiperazin-1-yl)pentyl]-6-fluoro-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name3-[4-(4-cyclohexylpiperazin-1-yl)pentyl]-6-fluoro-1,3-benzothiazol-2-one
PubChem CID58511937
Molecular FormulaC22H32FN3OS
Molecular Weight405.58 g/mol
Exact Mass405.23
IUPAC Name3-[4-(4-cyclohexylpiperazin-1-yl)pentyl]-6-fluoro-1,3-benzothiazol-2-one
SMILESCC(CCCn1c(=O)sc2cc(F)ccc21)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C22H32FN3OS/c1-17(24-12-14-25(15-13-24)19-7-3-2-4-8-19)6-5-11-26-20-10-9-18(23)16-21(20)28-22(26)27/h9-10,16-17,19H,2-8,11-15H2,1H3
InChIKeyAXVCFARJNXIHLD-UHFFFAOYSA-N
XLogP4.32
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.58
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-(4-cyclohexylpiperazin-1-yl)pentyl]-6-fluoro-1,3-benzothiazol-2-one with MolForge

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

Launch Full Analysis

Related Compounds

3-(2-Piperidin-1-yl-ethyl)-6-propyl-3H-benzothiazol-2-one
CID 10017936
3-(4-(4-cyclohexylpiperazin-1-yl)butyl)benzo(d)thiazole-2(3H)-thione
CID 17756659
3-[4-(4-Cyclohexylpiperazin-1-yl)butyl]-1,3-benzothiazol-2-one
CID 24807084
6-Butyl-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-one
CID 58386775
3-Methyl-6-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-3H-benzothiazol-2-one
CID 10717072
3-(1-Piperidinoethyl)-6-propylbenzothiazoline-2-one, 4
CID 71463510
3-Methyl-6-[2-(4-phenyl-piperazin-1-yl)-ethyl]-3H-benzothiazol-2-one
CID 10522029
3-[4-[4-(2-Methylphenyl)piperazin-1-yl]butyl]-1,3-benzothiazol-2-one
CID 118713589
3-[6-(4-Phenylpiperazin-1-yl)hexyl]-1,3-benzothiazol-2-one
CID 118713682
3-[7-(4-Phenylpiperazin-1-yl)heptyl]-1,3-benzothiazol-2-one
CID 118713686
3-Methyl-6-{4-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-butyl}-3H-benzothiazol-2-one
CID 10671211
6-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-3-methyl-3H-benzothiazol-2-one
CID 10809238

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-cyclohexylpiperazin-1-yl)pentyl]-6-fluoro-1,3-benzothiazol-2-one?
The IUPAC name of 3-[4-(4-cyclohexylpiperazin-1-yl)pentyl]-6-fluoro-1,3-benzothiazol-2-one (CID 58511937) is 3-[4-(4-cyclohexylpiperazin-1-yl)pentyl]-6-fluoro-1,3-benzothiazol-2-one.
What is the SMILES notation for 3-[4-(4-cyclohexylpiperazin-1-yl)pentyl]-6-fluoro-1,3-benzothiazol-2-one?
The canonical SMILES for 3-[4-(4-cyclohexylpiperazin-1-yl)pentyl]-6-fluoro-1,3-benzothiazol-2-one is CC(CCCn1c(=O)sc2cc(F)ccc21)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 3-[4-(4-cyclohexylpiperazin-1-yl)pentyl]-6-fluoro-1,3-benzothiazol-2-one?
The InChIKey is AXVCFARJNXIHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32FN3OS/c1-17(24-12-14-25(15-13-24)19-7-3-2-4-8-19)6-5-11-26-20-10-9-18(23)16-21(20)28-22(26)27/h9-10,16-17,19H,2-8,11-15H2,1H3.
What are the key properties of 3-[4-(4-cyclohexylpiperazin-1-yl)pentyl]-6-fluoro-1,3-benzothiazol-2-one?
3-[4-(4-cyclohexylpiperazin-1-yl)pentyl]-6-fluoro-1,3-benzothiazol-2-one has a molecular weight of 405.58 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-cyclohexylpiperazin-1-yl)pentyl]-6-fluoro-1,3-benzothiazol-2-one is sourced from PubChem (CID 58511937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).