[4-(2-fluorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone

C20H18FN3OS — CID 110372123

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2nccs2)c1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H18FN3OS/c21-17-6-1-2-7-18(17)23-9-11-24(12-10-23)20(25)16-5-3-4-15(14-16)19-22-8-13-26-19/h1-8,13-14H,9-12H2
InChIKeyLIJKGAOKLNQRPI-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.91
Rot. Bonds3

About [4-(2-fluorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone

[4-(2-fluorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone (PubChem CID 110372123) has the molecular formula C20H18FN3OS and a molecular weight of 367.45 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
PubChem CID110372123
Molecular FormulaC20H18FN3OS
Molecular Weight367.45 g/mol
Exact Mass367.12
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2nccs2)c1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H18FN3OS/c21-17-6-1-2-7-18(17)23-9-11-24(12-10-23)20(25)16-5-3-4-15(14-16)19-22-8-13-26-19/h1-8,13-14H,9-12H2
InChIKeyLIJKGAOKLNQRPI-UHFFFAOYSA-N
XLogP3.91
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-methoxyphenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372121
(4-pyridin-2-ylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372125
(4-methylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372090
2,3-dihydroindol-1-yl-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372145
[4-(2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride
CID 110756069
[3-(1,3-thiazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 118771311
[4-(2-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 17418431
1,3-benzodioxol-5-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 798083
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
[2-(cyclopentylamino)-4-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109166108
[2-(tert-butylamino)-4-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109174462
(5-ethylthiophen-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17217714

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone (CID 110372123) is [4-(2-fluorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone is O=C(c1cccc(-c2nccs2)c1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone?
The InChIKey is LIJKGAOKLNQRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3OS/c21-17-6-1-2-7-18(17)23-9-11-24(12-10-23)20(25)16-5-3-4-15(14-16)19-22-8-13-26-19/h1-8,13-14H,9-12H2.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone has a molecular weight of 367.45 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone is sourced from PubChem (CID 110372123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).