1-(furan-2-ylmethyl)-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]thiourea

C17H23N3O2S — CID 4835439

IUPAC1-(furan-2-ylmethyl)-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]thiourea
SMILESS=C(NCc1ccco1)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C17H23N3O2S/c23-17(18-12-14-6-4-10-21-14)19-13-15(16-7-5-11-22-16)20-8-2-1-3-9-20/h4-7,10-11,15H,1-3,8-9,12-13H2,(H2,18,19,23)
InChIKeyBOSGQZOGZYRDLT-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.06
Rot. Bonds6

About 1-(furan-2-ylmethyl)-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]thiourea

1-(furan-2-ylmethyl)-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]thiourea (PubChem CID 4835439) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]thiourea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]thiourea
PubChem CID4835439
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name1-(furan-2-ylmethyl)-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]thiourea
SMILESS=C(NCc1ccco1)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C17H23N3O2S/c23-17(18-12-14-6-4-10-21-14)19-13-15(16-7-5-11-22-16)20-8-2-1-3-9-20/h4-7,10-11,15H,1-3,8-9,12-13H2,(H2,18,19,23)
InChIKeyBOSGQZOGZYRDLT-UHFFFAOYSA-N
XLogP3.06
TPSA53.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(furan-2-ylmethyl)-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]thiourea 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 1-(furan-2-ylmethyl)-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]thiourea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]thiourea (CID 4835439) is 1-(furan-2-ylmethyl)-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]thiourea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]thiourea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]thiourea is S=C(NCc1ccco1)NCC(c1ccco1)N1CCCCC1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]thiourea?
The InChIKey is BOSGQZOGZYRDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c23-17(18-12-14-6-4-10-21-14)19-13-15(16-7-5-11-22-16)20-8-2-1-3-9-20/h4-7,10-11,15H,1-3,8-9,12-13H2,(H2,18,19,23).
What are the key properties of 1-(furan-2-ylmethyl)-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]thiourea?
1-(furan-2-ylmethyl)-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]thiourea has a molecular weight of 333.46 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]thiourea is sourced from PubChem (CID 4835439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).