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

C19H17F2N3O2S2 — CID 1447224

IUPAC4-(4-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C19H17F2N3O2S2/c20-15-3-1-14(2-4-15)18-13-27-19(22-18)23-9-11-24(12-10-23)28(25,26)17-7-5-16(21)6-8-17/h1-8,13H,9-12H2
InChIKeyDXXSUSCZSVCFHF-UHFFFAOYSA-N
MW421.49 g/mol
LogP3.60
Rot. Bonds4

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

4-(4-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole (PubChem CID 1447224) has the molecular formula C19H17F2N3O2S2 and a molecular weight of 421.49 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
PubChem CID1447224
Molecular FormulaC19H17F2N3O2S2
Molecular Weight421.49 g/mol
Exact Mass421.07
IUPAC Name4-(4-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C19H17F2N3O2S2/c20-15-3-1-14(2-4-15)18-13-27-19(22-18)23-9-11-24(12-10-23)28(25,26)17-7-5-16(21)6-8-17/h1-8,13H,9-12H2
InChIKeyDXXSUSCZSVCFHF-UHFFFAOYSA-N
XLogP3.60
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole?
The IUPAC name of 4-(4-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole (CID 1447224) is 4-(4-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-(4-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 4-(4-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole is O=S(=O)(c1ccc(F)cc1)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole?
The InChIKey is DXXSUSCZSVCFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2S2/c20-15-3-1-14(2-4-15)18-13-27-19(22-18)23-9-11-24(12-10-23)28(25,26)17-7-5-16(21)6-8-17/h1-8,13H,9-12H2.
What are the key properties of 4-(4-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole?
4-(4-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole has a molecular weight of 421.49 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 1447224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).