1-(furan-2-ylmethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea

C15H25N3OS — CID 973102

IUPAC1-(furan-2-ylmethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
SMILESCC1(C)CC(NC(=S)NCc2ccco2)CC(C)(C)N1
InChIInChI=1S/C15H25N3OS/c1-14(2)8-11(9-15(3,4)18-14)17-13(20)16-10-12-6-5-7-19-12/h5-7,11,18H,8-10H2,1-4H3,(H2,16,17,20)
InChIKeyHJZIOLOGYIYUJS-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.55
Rot. Bonds3

About 1-(furan-2-ylmethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea

1-(furan-2-ylmethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea (PubChem CID 973102) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
PubChem CID973102
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name1-(furan-2-ylmethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
SMILESCC1(C)CC(NC(=S)NCc2ccco2)CC(C)(C)N1
InChIInChI=1S/C15H25N3OS/c1-14(2)8-11(9-15(3,4)18-14)17-13(20)16-10-12-6-5-7-19-12/h5-7,11,18H,8-10H2,1-4H3,(H2,16,17,20)
InChIKeyHJZIOLOGYIYUJS-UHFFFAOYSA-N
XLogP2.55
TPSA49.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Benzyl-3-furfuryl-2-thiourea
CID 4604028
5-(2-Furylmethyl)-1,3,5-triazinane-2-thione
CID 929663
Furfurylamphetamine
CID 18116
1,3-(Difurfuryl)thiourea
CID 3034210
N-(furan-2-ylmethyl)-2-(hydroxymethyl)piperidine-1-carbothioamide
CID 2958187
N-(1,2,2,6,6-pentamethyl-4-piperidinyl)-2-furamide
CID 723466
1,5-Bis(furan-2-ylmethyl)-1,3,5-triazinane-2-thione
CID 951189
N1-(2-Furylmethyl)-2,6-dimethylpiperidine-1-carbothioamide
CID 2725444
[(Furan-2-yl)methyl]thiourea
CID 717699
N-(furan-2-ylmethylcarbamothioyl)-3-phenylpropanamide
CID 1253159
N-[1-(ethylcarbamothioyl)piperidin-4-yl]furan-2-carboxamide
CID 3218525
N-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]furan-2-carboxamide
CID 3218548

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea (CID 973102) is 1-(furan-2-ylmethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea is CC1(C)CC(NC(=S)NCc2ccco2)CC(C)(C)N1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea?
The InChIKey is HJZIOLOGYIYUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-14(2)8-11(9-15(3,4)18-14)17-13(20)16-10-12-6-5-7-19-12/h5-7,11,18H,8-10H2,1-4H3,(H2,16,17,20).
What are the key properties of 1-(furan-2-ylmethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea?
1-(furan-2-ylmethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea has a molecular weight of 295.45 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea is sourced from PubChem (CID 973102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).