5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one

C16H18FN3O5S2 — CID 16615975

IUPAC5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)COc2ccccc2F)CC1
InChIInChI=1S/C16H18FN3O5S2/c1-11-15(26-16(22)18-11)27(23,24)20-8-6-19(7-9-20)14(21)10-25-13-5-3-2-4-12(13)17/h2-5H,6-10H2,1H3,(H,18,22)
InChIKeyPRUVCMKCRBPOHG-UHFFFAOYSA-N
MW415.47 g/mol
LogP0.80
Rot. Bonds5

About 5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one

5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one (PubChem CID 16615975) has the molecular formula C16H18FN3O5S2 and a molecular weight of 415.47 g/mol. Its IUPAC name is 5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
PubChem CID16615975
Molecular FormulaC16H18FN3O5S2
Molecular Weight415.47 g/mol
Exact Mass415.07
IUPAC Name5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)COc2ccccc2F)CC1
InChIInChI=1S/C16H18FN3O5S2/c1-11-15(26-16(22)18-11)27(23,24)20-8-6-19(7-9-20)14(21)10-25-13-5-3-2-4-12(13)17/h2-5H,6-10H2,1H3,(H,18,22)
InChIKeyPRUVCMKCRBPOHG-UHFFFAOYSA-N
XLogP0.80
TPSA99.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 71904240
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 9011525
2-(2-ethoxyphenoxy)-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 4812335
2-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]sulfonylbenzonitrile
CID 2467591
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 9150948
1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 9365418
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 9240158
4-methyl-5-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
CID 16623138
2-(2-fluorophenoxy)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone
CID 2579941
5-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
CID 16616013
5-[4-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
CID 16623139
5-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
CID 18288944

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one?
The IUPAC name of 5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one (CID 16615975) is 5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one is Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)COc2ccccc2F)CC1.
What is the InChIKey of 5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one?
The InChIKey is PRUVCMKCRBPOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O5S2/c1-11-15(26-16(22)18-11)27(23,24)20-8-6-19(7-9-20)14(21)10-25-13-5-3-2-4-12(13)17/h2-5H,6-10H2,1H3,(H,18,22).
What are the key properties of 5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one?
5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one has a molecular weight of 415.47 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 16615975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).