[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate

C20H19FN2O5S2 — CID 32743214

IUPAC[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate
SMILESO=C(OCc1csc(-c2ccco2)n1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H19FN2O5S2/c21-15-3-5-17(6-4-15)30(25,26)23-9-7-14(8-10-23)20(24)28-12-16-13-29-19(22-16)18-2-1-11-27-18/h1-6,11,13-14H,7-10,12H2
InChIKeyQBCCCIYYVQULMU-UHFFFAOYSA-N
MW450.51 g/mol
LogP3.69
Rot. Bonds6

About [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate

[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 32743214) has the molecular formula C20H19FN2O5S2 and a molecular weight of 450.51 g/mol. Its IUPAC name is [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate
PubChem CID32743214
Molecular FormulaC20H19FN2O5S2
Molecular Weight450.51 g/mol
Exact Mass450.07
IUPAC Name[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate
SMILESO=C(OCc1csc(-c2ccco2)n1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H19FN2O5S2/c21-15-3-5-17(6-4-15)30(25,26)23-9-7-14(8-10-23)20(24)28-12-16-13-29-19(22-16)18-2-1-11-27-18/h1-6,11,13-14H,7-10,12H2
InChIKeyQBCCCIYYVQULMU-UHFFFAOYSA-N
XLogP3.69
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate
CID 32854126
1-[1-(benzenesulfonyl)piperidin-4-yl]-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
CID 86893271
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate
CID 55427701
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 55529442
methyl 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate
CID 60714594
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55529976
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 46688863
1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone
CID 55542892
2-(4-fluorophenyl)-1-[4-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]ethanone
CID 46441757
pyridin-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 42578108
(2-ethoxyphenyl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 7739799
(5-methyl-1,2-oxazol-3-yl)methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate
CID 27543624

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate (CID 32743214) is [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate is O=C(OCc1csc(-c2ccco2)n1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is QBCCCIYYVQULMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O5S2/c21-15-3-5-17(6-4-15)30(25,26)23-9-7-14(8-10-23)20(24)28-12-16-13-29-19(22-16)18-2-1-11-27-18/h1-6,11,13-14H,7-10,12H2.
What are the key properties of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate?
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 450.51 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 32743214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).