2-(4-fluorophenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone

C20H20FN3OS — CID 7597371

IUPAC2-(4-fluorophenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
SMILESCc1ccc2nc(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)sc2c1
InChIInChI=1S/C20H20FN3OS/c1-14-2-7-17-18(12-14)26-20(22-17)24-10-8-23(9-11-24)19(25)13-15-3-5-16(21)6-4-15/h2-7,12H,8-11,13H2,1H3
InChIKeyGQBJIBBFPIFZGS-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.64
Rot. Bonds3

About 2-(4-fluorophenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone

2-(4-fluorophenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 7597371) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
PubChem CID7597371
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC Name2-(4-fluorophenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
SMILESCc1ccc2nc(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)sc2c1
InChIInChI=1S/C20H20FN3OS/c1-14-2-7-17-18(12-14)26-20(22-17)24-10-8-23(9-11-24)19(25)13-15-3-5-16(21)6-4-15/h2-7,12H,8-11,13H2,1H3
InChIKeyGQBJIBBFPIFZGS-UHFFFAOYSA-N
XLogP3.64
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone (CID 7597371) is 2-(4-fluorophenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone is Cc1ccc2nc(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)sc2c1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is GQBJIBBFPIFZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c1-14-2-7-17-18(12-14)26-20(22-17)24-10-8-23(9-11-24)19(25)13-15-3-5-16(21)6-4-15/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 369.47 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 7597371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).