2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole

C18H18FN3O4S2 — CID 30864263

IUPAC2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C18H18FN3O4S2/c1-25-14-5-4-13(19)11-16(14)28(23,24)22-8-6-12(7-9-22)17-20-21-18(27-17)15-3-2-10-26-15/h2-5,10-12H,6-9H2,1H3
InChIKeyXGZHMNRBEHDGHV-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.51
Rot. Bonds5

About 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole

2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole (PubChem CID 30864263) has the molecular formula C18H18FN3O4S2 and a molecular weight of 423.49 g/mol. Its IUPAC name is 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole
PubChem CID30864263
Molecular FormulaC18H18FN3O4S2
Molecular Weight423.49 g/mol
Exact Mass423.07
IUPAC Name2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C18H18FN3O4S2/c1-25-14-5-4-13(19)11-16(14)28(23,24)22-8-6-12(7-9-22)17-20-21-18(27-17)15-3-2-10-26-15/h2-5,10-12H,6-9H2,1H3
InChIKeyXGZHMNRBEHDGHV-UHFFFAOYSA-N
XLogP3.51
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole (CID 30864263) is 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole is COc1ccc(F)cc1S(=O)(=O)N1CCC(c2nnc(-c3ccco3)s2)CC1.
What is the InChIKey of 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole?
The InChIKey is XGZHMNRBEHDGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O4S2/c1-25-14-5-4-13(19)11-16(14)28(23,24)22-8-6-12(7-9-22)17-20-21-18(27-17)15-3-2-10-26-15/h2-5,10-12H,6-9H2,1H3.
What are the key properties of 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole?
2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole has a molecular weight of 423.49 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 30864263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).