2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-thiophen-3-yl-1,3-thiazole

C17H15F2N3O2S3 — CID 71811087

IUPAC2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-thiophen-3-yl-1,3-thiazole
SMILESO=S(=O)(c1c(F)cccc1F)N1CCN(c2nc(-c3ccsc3)cs2)CC1
InChIInChI=1S/C17H15F2N3O2S3/c18-13-2-1-3-14(19)16(13)27(23,24)22-7-5-21(6-8-22)17-20-15(11-26-17)12-4-9-25-10-12/h1-4,9-11H,5-8H2
InChIKeyVJPSNBNDIUVNJR-UHFFFAOYSA-N
MW427.52 g/mol
LogP3.66
Rot. Bonds4

About 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-thiophen-3-yl-1,3-thiazole

2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-thiophen-3-yl-1,3-thiazole (PubChem CID 71811087) has the molecular formula C17H15F2N3O2S3 and a molecular weight of 427.52 g/mol. Its IUPAC name is 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-thiophen-3-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-thiophen-3-yl-1,3-thiazole
PubChem CID71811087
Molecular FormulaC17H15F2N3O2S3
Molecular Weight427.52 g/mol
Exact Mass427.03
IUPAC Name2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-thiophen-3-yl-1,3-thiazole
SMILESO=S(=O)(c1c(F)cccc1F)N1CCN(c2nc(-c3ccsc3)cs2)CC1
InChIInChI=1S/C17H15F2N3O2S3/c18-13-2-1-3-14(19)16(13)27(23,24)22-7-5-21(6-8-22)17-20-15(11-26-17)12-4-9-25-10-12/h1-4,9-11H,5-8H2
InChIKeyVJPSNBNDIUVNJR-UHFFFAOYSA-N
XLogP3.66
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-thiophen-3-yl-1,3-thiazole
CID 71811083
2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,3-dimethylphenyl)-1,3-thiazole;2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,6-dimethylphenyl)-1,3-thiazole
CID 157259896
4-(4-methylphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 87465355
4-(3-methoxyphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-(3-methylphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 162011689
2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonylbenzonitrile
CID 133370598
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-fluorophenyl)-1,3-thiazole
CID 1447228
4-(2,6-dimethylphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)-1,3-thiazole
CID 158314963
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-thiophen-3-ylmethanone
CID 17485336
4-(3-bromophenyl)-2-[4-(2,5-dibromo-3,6-difluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,5-dibromo-3,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole
CID 87551893
4-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-[(3-chloro-5-fluorophenyl)methyl]-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 158803514
4-(4-fluorophenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]-1,3-thiazole
CID 133371641
(E)-3-thiophen-2-yl-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]prop-2-en-1-one
CID 71811050

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-thiophen-3-yl-1,3-thiazole?
The IUPAC name of 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-thiophen-3-yl-1,3-thiazole (CID 71811087) is 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-thiophen-3-yl-1,3-thiazole.
What is the SMILES notation for 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-thiophen-3-yl-1,3-thiazole?
The canonical SMILES for 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-thiophen-3-yl-1,3-thiazole is O=S(=O)(c1c(F)cccc1F)N1CCN(c2nc(-c3ccsc3)cs2)CC1.
What is the InChIKey of 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-thiophen-3-yl-1,3-thiazole?
The InChIKey is VJPSNBNDIUVNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2S3/c18-13-2-1-3-14(19)16(13)27(23,24)22-7-5-21(6-8-22)17-20-15(11-26-17)12-4-9-25-10-12/h1-4,9-11H,5-8H2.
What are the key properties of 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-thiophen-3-yl-1,3-thiazole?
2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-thiophen-3-yl-1,3-thiazole has a molecular weight of 427.52 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-thiophen-3-yl-1,3-thiazole is sourced from PubChem (CID 71811087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).