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

C20H20FN3O3S2 — CID 647832

IUPAC2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole
SMILESCOc1cccc(-c2csc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)n2)c1
InChIInChI=1S/C20H20FN3O3S2/c1-27-17-4-2-3-15(13-17)19-14-28-20(22-19)23-9-11-24(12-10-23)29(25,26)18-7-5-16(21)6-8-18/h2-8,13-14H,9-12H2,1H3
InChIKeyHDCPQQCZIGJHRM-UHFFFAOYSA-N
MW433.53 g/mol
LogP3.47
Rot. Bonds5

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

2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole (PubChem CID 647832) has the molecular formula C20H20FN3O3S2 and a molecular weight of 433.53 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole
PubChem CID647832
Molecular FormulaC20H20FN3O3S2
Molecular Weight433.53 g/mol
Exact Mass433.09
IUPAC Name2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole
SMILESCOc1cccc(-c2csc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)n2)c1
InChIInChI=1S/C20H20FN3O3S2/c1-27-17-4-2-3-15(13-17)19-14-28-20(22-19)23-9-11-24(12-10-23)29(25,26)18-7-5-16(21)6-8-18/h2-8,13-14H,9-12H2,1H3
InChIKeyHDCPQQCZIGJHRM-UHFFFAOYSA-N
XLogP3.47
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole (CID 647832) is 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole is COc1cccc(-c2csc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)n2)c1.
What is the InChIKey of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole?
The InChIKey is HDCPQQCZIGJHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3S2/c1-27-17-4-2-3-15(13-17)19-14-28-20(22-19)23-9-11-24(12-10-23)29(25,26)18-7-5-16(21)6-8-18/h2-8,13-14H,9-12H2,1H3.
What are the key properties of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole?
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole has a molecular weight of 433.53 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 647832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).