2-(4-chlorophenyl)-4-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole

C20H18ClF2N3O2S2 — CID 27182199

IUPAC2-(4-chlorophenyl)-4-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C20H18ClF2N3O2S2/c21-15-3-1-14(2-4-15)20-24-16(13-29-20)12-25-7-9-26(10-8-25)30(27,28)17-5-6-18(22)19(23)11-17/h1-6,11,13H,7-10,12H2
InChIKeyWJWAMZHZWGCIGV-UHFFFAOYSA-N
MW469.97 g/mol
LogP4.25
Rot. Bonds5

About 2-(4-chlorophenyl)-4-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole

2-(4-chlorophenyl)-4-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 27182199) has the molecular formula C20H18ClF2N3O2S2 and a molecular weight of 469.97 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
PubChem CID27182199
Molecular FormulaC20H18ClF2N3O2S2
Molecular Weight469.97 g/mol
Exact Mass469.05
IUPAC Name2-(4-chlorophenyl)-4-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C20H18ClF2N3O2S2/c21-15-3-1-14(2-4-15)20-24-16(13-29-20)12-25-7-9-26(10-8-25)30(27,28)17-5-6-18(22)19(23)11-17/h1-6,11,13H,7-10,12H2
InChIKeyWJWAMZHZWGCIGV-UHFFFAOYSA-N
XLogP4.25
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.97
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-(4-chlorophenyl)-4-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole (CID 27182199) is 2-(4-chlorophenyl)-4-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-(4-chlorophenyl)-4-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole is O=S(=O)(c1ccc(F)c(F)c1)N1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is WJWAMZHZWGCIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF2N3O2S2/c21-15-3-1-14(2-4-15)20-24-16(13-29-20)12-25-7-9-26(10-8-25)30(27,28)17-5-6-18(22)19(23)11-17/h1-6,11,13H,7-10,12H2.
What are the key properties of 2-(4-chlorophenyl)-4-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole?
2-(4-chlorophenyl)-4-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 469.97 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 27182199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).