4-(4-fluorophenyl)-2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole

C23H20FN3O2S2 — CID 1447291

IUPAC4-(4-fluorophenyl)-2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole
SMILESO=S(=O)(c1cccc2ccccc12)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C23H20FN3O2S2/c24-19-10-8-18(9-11-19)21-16-30-23(25-21)26-12-14-27(15-13-26)31(28,29)22-7-3-5-17-4-1-2-6-20(17)22/h1-11,16H,12-15H2
InChIKeyRKZQCZMKTVGHNI-UHFFFAOYSA-N
MW453.56 g/mol
LogP4.61
Rot. Bonds4

About 4-(4-fluorophenyl)-2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole

4-(4-fluorophenyl)-2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole (PubChem CID 1447291) has the molecular formula C23H20FN3O2S2 and a molecular weight of 453.56 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole
PubChem CID1447291
Molecular FormulaC23H20FN3O2S2
Molecular Weight453.56 g/mol
Exact Mass453.10
IUPAC Name4-(4-fluorophenyl)-2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole
SMILESO=S(=O)(c1cccc2ccccc12)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C23H20FN3O2S2/c24-19-10-8-18(9-11-19)21-16-30-23(25-21)26-12-14-27(15-13-26)31(28,29)22-7-3-5-17-4-1-2-6-20(17)22/h1-11,16H,12-15H2
InChIKeyRKZQCZMKTVGHNI-UHFFFAOYSA-N
XLogP4.61
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 54.61
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-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole?
The IUPAC name of 4-(4-fluorophenyl)-2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole (CID 1447291) is 4-(4-fluorophenyl)-2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-(4-fluorophenyl)-2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-(4-fluorophenyl)-2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole is O=S(=O)(c1cccc2ccccc12)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is RKZQCZMKTVGHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2S2/c24-19-10-8-18(9-11-19)21-16-30-23(25-21)26-12-14-27(15-13-26)31(28,29)22-7-3-5-17-4-1-2-6-20(17)22/h1-11,16H,12-15H2.
What are the key properties of 4-(4-fluorophenyl)-2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole?
4-(4-fluorophenyl)-2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole has a molecular weight of 453.56 g/mol, XLogP of 4.61, 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-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole is sourced from PubChem (CID 1447291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).