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'}

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Related Compounds

5-(2-Furylmethyl)-1,3,5-triazinane-2-thione
CID 929663
1,3-(Difurfuryl)thiourea
CID 3034210
N-(furan-2-ylmethyl)-2-(hydroxymethyl)piperidine-1-carbothioamide
CID 2958187
1,5-Bis(furan-2-ylmethyl)-1,3,5-triazinane-2-thione
CID 951189
N1-(2-Furylmethyl)-2,6-dimethylpiperidine-1-carbothioamide
CID 2725444
1-(Furan-2-ylmethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
CID 973102
N-(furan-2-ylmethyl)-2-methylpiperidine-1-carbothioamide
CID 3969440
1-[2-(Furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylthiourea
CID 4833332
5-(2-Furylmethyl)-1-(3-methoxypropyl)-1,3,5-triazinane-2-thione
CID 1866938
1-(2-Furyl)-N1,N1-dimethyl-1,2-ethanediamine
CID 3754087
N-ethyl-4-(2-furoyl)-1-piperazinecarbothioamide
CID 773149
4-Furan-2-ylmethyl-piperazine-1-carbothioic acid (furan-2-ylmethyl)-amide
CID 859016

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).