1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone

C20H19FN4O3S2 — CID 26766713

IUPAC1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
SMILESO=C(Cc1csc(-c2ccccn2)n1)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H19FN4O3S2/c21-16-5-1-2-7-18(16)30(27,28)25-11-9-24(10-12-25)19(26)13-15-14-29-20(23-15)17-6-3-4-8-22-17/h1-8,14H,9-13H2
InChIKeyKHKCHMKUSZUCKW-UHFFFAOYSA-N
MW446.53 g/mol
LogP2.42
Rot. Bonds5

About 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone

1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 26766713) has the molecular formula C20H19FN4O3S2 and a molecular weight of 446.53 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
PubChem CID26766713
Molecular FormulaC20H19FN4O3S2
Molecular Weight446.53 g/mol
Exact Mass446.09
IUPAC Name1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
SMILESO=C(Cc1csc(-c2ccccn2)n1)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H19FN4O3S2/c21-16-5-1-2-7-18(16)30(27,28)25-11-9-24(10-12-25)19(26)13-15-14-29-20(23-15)17-6-3-4-8-22-17/h1-8,14H,9-13H2
InChIKeyKHKCHMKUSZUCKW-UHFFFAOYSA-N
XLogP2.42
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone with MolForge

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Related Compounds

3-(1,3-Benzothiazol-7-ylsulfonyl)-1-[4-(3-fluoro-4-pyridinyl)piperazin-1-yl]propan-1-one
CID 161179206
N-[4-({[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]amino}sulfonyl)phenyl]acetamide
CID 3241778
N-methyl-N-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 16325496
N-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-N-propan-2-ylacetamide
CID 16328616
2-Methyl-1-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 18144733
[1-[[2-Methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 62705155
3-(1,3-Benzothiazol-7-ylsulfonyl)-1-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]propan-1-one
CID 162673980
N-ethyl-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-phenylpropanamide
CID 16278388
2-[[5-(Azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 16337930
(E)-1-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 32229604
N-(4-fluorophenyl)-2-((4-(2-oxo-2-((pyridin-2-ylmethyl)amino)ethyl)thiazol-2-yl)thio)acetamide
CID 16899146
4-(Tert-butyl)-2-((4-(pyridin-3-ylsulfonyl)piperazin-1-yl)methyl)thiazole
CID 30868644

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone (CID 26766713) is 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone is O=C(Cc1csc(-c2ccccn2)n1)N1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone?
The InChIKey is KHKCHMKUSZUCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3S2/c21-16-5-1-2-7-18(16)30(27,28)25-11-9-24(10-12-25)19(26)13-15-14-29-20(23-15)17-6-3-4-8-22-17/h1-8,14H,9-13H2.
What are the key properties of 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone?
1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 446.53 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 26766713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).