2-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole

C19H20FN3O3S3 — CID 30463893

IUPAC2-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCN(Cc2nc(-c3cccs3)cs2)CC1
InChIInChI=1S/C19H20FN3O3S3/c1-26-16-5-4-14(20)11-18(16)29(24,25)23-8-6-22(7-9-23)12-19-21-15(13-28-19)17-3-2-10-27-17/h2-5,10-11,13H,6-9,12H2,1H3
InChIKeyXOCKVROCBPCSOF-UHFFFAOYSA-N
MW453.59 g/mol
LogP3.53
Rot. Bonds6

About 2-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole

2-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole (PubChem CID 30463893) has the molecular formula C19H20FN3O3S3 and a molecular weight of 453.59 g/mol. Its IUPAC name is 2-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole
PubChem CID30463893
Molecular FormulaC19H20FN3O3S3
Molecular Weight453.59 g/mol
Exact Mass453.07
IUPAC Name2-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCN(Cc2nc(-c3cccs3)cs2)CC1
InChIInChI=1S/C19H20FN3O3S3/c1-26-16-5-4-14(20)11-18(16)29(24,25)23-8-6-22(7-9-23)12-19-21-15(13-28-19)17-3-2-10-27-17/h2-5,10-11,13H,6-9,12H2,1H3
InChIKeyXOCKVROCBPCSOF-UHFFFAOYSA-N
XLogP3.53
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 30463699
2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole
CID 30463840
1-benzyl-4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazine
CID 6499746
2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-4-thiophen-2-yl-1,3-thiazole
CID 30463865
2-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole
CID 30868768
2-(3,4-dimethoxyphenyl)-1-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 30860633
2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-(3-methoxyphenyl)-1,3-thiazole
CID 30463718
4-(4-fluorophenyl)-2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 25191881
5-[[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 78836560
1-(2,5-dimethoxyphenyl)sulfonyl-4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine
CID 35881835
1-[(5-fluoro-2-methoxyphenyl)methyl]-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 8818419
2-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-fluorophenyl)-1,3-thiazole
CID 30463531

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 2-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole (CID 30463893) is 2-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 2-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole is COc1ccc(F)cc1S(=O)(=O)N1CCN(Cc2nc(-c3cccs3)cs2)CC1.
What is the InChIKey of 2-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole?
The InChIKey is XOCKVROCBPCSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S3/c1-26-16-5-4-14(20)11-18(16)29(24,25)23-8-6-22(7-9-23)12-19-21-15(13-28-19)17-3-2-10-27-17/h2-5,10-11,13H,6-9,12H2,1H3.
What are the key properties of 2-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole?
2-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole has a molecular weight of 453.59 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 30463893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).