[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone

C24H27FN4OS — CID 90609862

IUPAC[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)C3CCN(c4nc5ccc(F)cc5s4)CC3)CC2)c1
InChIInChI=1S/C24H27FN4OS/c1-17-3-2-4-20(15-17)27-11-13-28(14-12-27)23(30)18-7-9-29(10-8-18)24-26-21-6-5-19(25)16-22(21)31-24/h2-6,15-16,18H,7-14H2,1H3
InChIKeyCDKRQRAMSBOVNE-UHFFFAOYSA-N
MW438.57 g/mol
LogP4.31
Rot. Bonds3

About [1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone

[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone (PubChem CID 90609862) has the molecular formula C24H27FN4OS and a molecular weight of 438.57 g/mol. Its IUPAC name is [1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
PubChem CID90609862
Molecular FormulaC24H27FN4OS
Molecular Weight438.57 g/mol
Exact Mass438.19
IUPAC Name[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)C3CCN(c4nc5ccc(F)cc5s4)CC3)CC2)c1
InChIInChI=1S/C24H27FN4OS/c1-17-3-2-4-20(15-17)27-11-13-28(14-12-27)23(30)18-7-9-29(10-8-18)24-26-21-6-5-19(25)16-22(21)31-24/h2-6,15-16,18H,7-14H2,1H3
InChIKeyCDKRQRAMSBOVNE-UHFFFAOYSA-N
XLogP4.31
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 90609854
[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 90609863
[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 90604095
cyclohexyl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 18575569
(4-benzhydrylpiperazin-1-yl)-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
CID 90611224
ethyl 1-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 90611218
[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 7539120
[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 86884571
ethane;[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone
CID 157251546
6-ethyl-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081540
[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone
CID 7539111
[4-(3-methylphenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methanone
CID 71794792

Frequently Asked Questions

What is the IUPAC name of [1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone (CID 90609862) is [1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone is Cc1cccc(N2CCN(C(=O)C3CCN(c4nc5ccc(F)cc5s4)CC3)CC2)c1.
What is the InChIKey of [1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is CDKRQRAMSBOVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4OS/c1-17-3-2-4-20(15-17)27-11-13-28(14-12-27)23(30)18-7-9-29(10-8-18)24-26-21-6-5-19(25)16-22(21)31-24/h2-6,15-16,18H,7-14H2,1H3.
What are the key properties of [1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 438.57 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 90609862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).