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

C18H19N3O3S2 — CID 30864294

IUPAC2-(furan-2-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole
SMILESCc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccco4)s3)CC2)cc1
InChIInChI=1S/C18H19N3O3S2/c1-13-4-6-15(7-5-13)26(22,23)21-10-8-14(9-11-21)17-19-20-18(25-17)16-3-2-12-24-16/h2-7,12,14H,8-11H2,1H3
InChIKeyYFBSWEQHZIZMMX-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.67
Rot. Bonds4

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

2-(furan-2-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole (PubChem CID 30864294) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole
PubChem CID30864294
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC Name2-(furan-2-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole
SMILESCc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccco4)s3)CC2)cc1
InChIInChI=1S/C18H19N3O3S2/c1-13-4-6-15(7-5-13)26(22,23)21-10-8-14(9-11-21)17-19-20-18(25-17)16-3-2-12-24-16/h2-7,12,14H,8-11H2,1H3
InChIKeyYFBSWEQHZIZMMX-UHFFFAOYSA-N
XLogP3.67
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-(furan-2-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole (CID 30864294) is 2-(furan-2-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-(furan-2-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-(furan-2-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole is Cc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccco4)s3)CC2)cc1.
What is the InChIKey of 2-(furan-2-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole?
The InChIKey is YFBSWEQHZIZMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-13-4-6-15(7-5-13)26(22,23)21-10-8-14(9-11-21)17-19-20-18(25-17)16-3-2-12-24-16/h2-7,12,14H,8-11H2,1H3.
What are the key properties of 2-(furan-2-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole?
2-(furan-2-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole has a molecular weight of 389.50 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 30864294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).