2-(furan-2-yl)-5-(1-propylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole

C14H19N3O3S2 — CID 30864291

IUPAC2-(furan-2-yl)-5-(1-propylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole
SMILESCCCS(=O)(=O)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C14H19N3O3S2/c1-2-10-22(18,19)17-7-5-11(6-8-17)13-15-16-14(21-13)12-4-3-9-20-12/h3-4,9,11H,2,5-8,10H2,1H3
InChIKeyYQXLRDOBKRTNIA-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.72
Rot. Bonds5

About 2-(furan-2-yl)-5-(1-propylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole

2-(furan-2-yl)-5-(1-propylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole (PubChem CID 30864291) has the molecular formula C14H19N3O3S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-(1-propylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-5-(1-propylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole
PubChem CID30864291
Molecular FormulaC14H19N3O3S2
Molecular Weight341.46 g/mol
Exact Mass341.09
IUPAC Name2-(furan-2-yl)-5-(1-propylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole
SMILESCCCS(=O)(=O)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C14H19N3O3S2/c1-2-10-22(18,19)17-7-5-11(6-8-17)13-15-16-14(21-13)12-4-3-9-20-12/h3-4,9,11H,2,5-8,10H2,1H3
InChIKeyYQXLRDOBKRTNIA-UHFFFAOYSA-N
XLogP2.72
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.72
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-propylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(furan-2-yl)-5-(1-propylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole (CID 30864291) is 2-(furan-2-yl)-5-(1-propylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(furan-2-yl)-5-(1-propylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(furan-2-yl)-5-(1-propylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole is CCCS(=O)(=O)N1CCC(c2nnc(-c3ccco3)s2)CC1.
What is the InChIKey of 2-(furan-2-yl)-5-(1-propylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole?
The InChIKey is YQXLRDOBKRTNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S2/c1-2-10-22(18,19)17-7-5-11(6-8-17)13-15-16-14(21-13)12-4-3-9-20-12/h3-4,9,11H,2,5-8,10H2,1H3.
What are the key properties of 2-(furan-2-yl)-5-(1-propylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole?
2-(furan-2-yl)-5-(1-propylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole has a molecular weight of 341.46 g/mol, XLogP of 2.72, 5 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-propylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 30864291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).