2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-fluorophenyl)-1,3-thiazole

C19H17BrFN3O2S2 — CID 1447228

IUPAC2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-fluorophenyl)-1,3-thiazole
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C19H17BrFN3O2S2/c20-15-3-7-17(8-4-15)28(25,26)24-11-9-23(10-12-24)19-22-18(13-27-19)14-1-5-16(21)6-2-14/h1-8,13H,9-12H2
InChIKeyZKRCEQQWVWRVKH-UHFFFAOYSA-N
MW482.40 g/mol
LogP4.22
Rot. Bonds4

About 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-fluorophenyl)-1,3-thiazole

2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-fluorophenyl)-1,3-thiazole (PubChem CID 1447228) has the molecular formula C19H17BrFN3O2S2 and a molecular weight of 482.40 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-fluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-fluorophenyl)-1,3-thiazole
PubChem CID1447228
Molecular FormulaC19H17BrFN3O2S2
Molecular Weight482.40 g/mol
Exact Mass480.99
IUPAC Name2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-fluorophenyl)-1,3-thiazole
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C19H17BrFN3O2S2/c20-15-3-7-17(8-4-15)28(25,26)24-11-9-23(10-12-24)19-22-18(13-27-19)14-1-5-16(21)6-2-14/h1-8,13H,9-12H2
InChIKeyZKRCEQQWVWRVKH-UHFFFAOYSA-N
XLogP4.22
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.40
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]morpholine
CID 43001422
2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonylbenzonitrile
CID 133370598
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-pyridin-4-yl-1,3-thiazole
CID 25191882
2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-4-(3,4-difluorophenyl)-1,3-thiazole;2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-4-(3,5-difluorophenyl)-1,3-thiazole
CID 87552328
4-(4-methylphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 87465355
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole
CID 161160175
2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-methoxyphenyl)-1,3-thiazole;2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-methylphenyl)-1,3-thiazole
CID 157388900
4-(4-fluorophenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]-1,3-thiazole
CID 133371641
1-[4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 46907737
4-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole
CID 166227981
2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-chloro-3-fluorophenyl)-1,3-thiazole;2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole
CID 159606515
4-(4-fluorophenyl)-2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 25191881

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-fluorophenyl)-1,3-thiazole?
The IUPAC name of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-fluorophenyl)-1,3-thiazole (CID 1447228) is 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-fluorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-fluorophenyl)-1,3-thiazole?
The canonical SMILES for 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-fluorophenyl)-1,3-thiazole is O=S(=O)(c1ccc(Br)cc1)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1.
What is the InChIKey of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-fluorophenyl)-1,3-thiazole?
The InChIKey is ZKRCEQQWVWRVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrFN3O2S2/c20-15-3-7-17(8-4-15)28(25,26)24-11-9-23(10-12-24)19-22-18(13-27-19)14-1-5-16(21)6-2-14/h1-8,13H,9-12H2.
What are the key properties of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-fluorophenyl)-1,3-thiazole?
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-fluorophenyl)-1,3-thiazole has a molecular weight of 482.40 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-fluorophenyl)-1,3-thiazole is sourced from PubChem (CID 1447228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).