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

C11H13N3OS — CID 45496751

IUPAC2-(furan-2-yl)-5-piperidin-3-yl-1,3,4-thiadiazole
SMILESc1coc(-c2nnc(C3CCCNC3)s2)c1
InChIInChI=1S/C11H13N3OS/c1-3-8(7-12-5-1)10-13-14-11(16-10)9-4-2-6-15-9/h2,4,6,8,12H,1,3,5,7H2
InChIKeyVGQHXSKOTOTVRO-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.27
Rot. Bonds2

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

2-(furan-2-yl)-5-piperidin-3-yl-1,3,4-thiadiazole (PubChem CID 45496751) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-piperidin-3-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-5-piperidin-3-yl-1,3,4-thiadiazole
PubChem CID45496751
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-(furan-2-yl)-5-piperidin-3-yl-1,3,4-thiadiazole
SMILESc1coc(-c2nnc(C3CCCNC3)s2)c1
InChIInChI=1S/C11H13N3OS/c1-3-8(7-12-5-1)10-13-14-11(16-10)9-4-2-6-15-9/h2,4,6,8,12H,1,3,5,7H2
InChIKeyVGQHXSKOTOTVRO-UHFFFAOYSA-N
XLogP2.27
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-piperidin-3-yl-1,3,4-thiadiazole?
The IUPAC name of 2-(furan-2-yl)-5-piperidin-3-yl-1,3,4-thiadiazole (CID 45496751) is 2-(furan-2-yl)-5-piperidin-3-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(furan-2-yl)-5-piperidin-3-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-(furan-2-yl)-5-piperidin-3-yl-1,3,4-thiadiazole is c1coc(-c2nnc(C3CCCNC3)s2)c1.
What is the InChIKey of 2-(furan-2-yl)-5-piperidin-3-yl-1,3,4-thiadiazole?
The InChIKey is VGQHXSKOTOTVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-3-8(7-12-5-1)10-13-14-11(16-10)9-4-2-6-15-9/h2,4,6,8,12H,1,3,5,7H2.
What are the key properties of 2-(furan-2-yl)-5-piperidin-3-yl-1,3,4-thiadiazole?
2-(furan-2-yl)-5-piperidin-3-yl-1,3,4-thiadiazole has a molecular weight of 235.31 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-piperidin-3-yl-1,3,4-thiadiazole is sourced from PubChem (CID 45496751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).