4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide

C20H22N4O2S — CID 30864367

IUPAC4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C20H22N4O2S/c25-20(21-11-8-15-5-2-1-3-6-15)24-12-9-16(10-13-24)18-22-23-19(27-18)17-7-4-14-26-17/h1-7,14,16H,8-13H2,(H,21,25)
InChIKeyNDPFVDRPHFGEPV-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.93
Rot. Bonds5

About 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide

4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide (PubChem CID 30864367) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
PubChem CID30864367
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C20H22N4O2S/c25-20(21-11-8-15-5-2-1-3-6-15)24-12-9-16(10-13-24)18-22-23-19(27-18)17-7-4-14-26-17/h1-7,14,16H,8-13H2,(H,21,25)
InChIKeyNDPFVDRPHFGEPV-UHFFFAOYSA-N
XLogP3.93
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
The IUPAC name of 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide (CID 30864367) is 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide is O=C(NCCc1ccccc1)N1CCC(c2nnc(-c3ccco3)s2)CC1.
What is the InChIKey of 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
The InChIKey is NDPFVDRPHFGEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c25-20(21-11-8-15-5-2-1-3-6-15)24-12-9-16(10-13-24)18-22-23-19(27-18)17-7-4-14-26-17/h1-7,14,16H,8-13H2,(H,21,25).
What are the key properties of 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 30864367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).