1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone

C21H20N4O2S — CID 71780436

IUPAC1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C21H20N4O2S/c26-19(12-15-13-22-17-5-2-1-4-16(15)17)25-9-7-14(8-10-25)20-23-24-21(28-20)18-6-3-11-27-18/h1-6,11,13-14,22H,7-10,12H2
InChIKeyQZRUEJYBSCINDP-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.23
Rot. Bonds4

About 1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone

1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone (PubChem CID 71780436) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
PubChem CID71780436
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C21H20N4O2S/c26-19(12-15-13-22-17-5-2-1-4-16(15)17)25-9-7-14(8-10-25)20-23-24-21(28-20)18-6-3-11-27-18/h1-6,11,13-14,22H,7-10,12H2
InChIKeyQZRUEJYBSCINDP-UHFFFAOYSA-N
XLogP4.23
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone (CID 71780436) is 1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone is O=C(Cc1c[nH]c2ccccc12)N1CCC(c2nnc(-c3ccco3)s2)CC1.
What is the InChIKey of 1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone?
The InChIKey is QZRUEJYBSCINDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c26-19(12-15-13-22-17-5-2-1-4-16(15)17)25-9-7-14(8-10-25)20-23-24-21(28-20)18-6-3-11-27-18/h1-6,11,13-14,22H,7-10,12H2.
What are the key properties of 1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone?
1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone has a molecular weight of 392.48 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 71780436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).