1-[(5-methylfuran-2-yl)methyl]-1-(2-phenylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea

C24H35N3OS — CID 17066000

IUPAC1-[(5-methylfuran-2-yl)methyl]-1-(2-phenylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
SMILESCc1ccc(CN(CCc2ccccc2)C(=S)NC2CC(C)(C)NC(C)(C)C2)o1
InChIInChI=1S/C24H35N3OS/c1-18-11-12-21(28-18)17-27(14-13-19-9-7-6-8-10-19)22(29)25-20-15-23(2,3)26-24(4,5)16-20/h6-12,20,26H,13-17H2,1-5H3,(H,25,29)
InChIKeyYHYDSEKSKZCUMG-UHFFFAOYSA-N
MW413.63 g/mol
LogP4.82
Rot. Bonds6

About 1-[(5-methylfuran-2-yl)methyl]-1-(2-phenylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea

1-[(5-methylfuran-2-yl)methyl]-1-(2-phenylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea (PubChem CID 17066000) has the molecular formula C24H35N3OS and a molecular weight of 413.63 g/mol. Its IUPAC name is 1-[(5-methylfuran-2-yl)methyl]-1-(2-phenylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea.

Molecular Properties

Compound Name1-[(5-methylfuran-2-yl)methyl]-1-(2-phenylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
PubChem CID17066000
Molecular FormulaC24H35N3OS
Molecular Weight413.63 g/mol
Exact Mass413.25
IUPAC Name1-[(5-methylfuran-2-yl)methyl]-1-(2-phenylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
SMILESCc1ccc(CN(CCc2ccccc2)C(=S)NC2CC(C)(C)NC(C)(C)C2)o1
InChIInChI=1S/C24H35N3OS/c1-18-11-12-21(28-18)17-27(14-13-19-9-7-6-8-10-19)22(29)25-20-15-23(2,3)26-24(4,5)16-20/h6-12,20,26H,13-17H2,1-5H3,(H,25,29)
InChIKeyYHYDSEKSKZCUMG-UHFFFAOYSA-N
XLogP4.82
TPSA40.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.63
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-1-(furan-2-ylmethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
CID 17065741
1-cyclohexyl-1-[(5-methylfuran-2-yl)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
CID 17065938
1-benzyl-1-prop-2-enyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
CID 17066055
1-benzyl-3-cyclohexyl-1-(2-phenylethyl)thiourea
CID 2470828
1-[(3-methoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
CID 17065882
3-cycloheptyl-1-(furan-2-ylmethyl)-1-[(5-methylfuran-2-yl)methyl]thiourea
CID 17383933
cyclopropylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]azanium
CID 7405274
1-[(2-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
CID 17066016
N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)-2-(propylamino)acetamide
CID 7347797
1-[(3-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
CID 17065876
1-[(4-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
CID 17065763
2-[tert-butylcarbamoyl(cyclopropyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 5228415

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylfuran-2-yl)methyl]-1-(2-phenylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea?
The IUPAC name of 1-[(5-methylfuran-2-yl)methyl]-1-(2-phenylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea (CID 17066000) is 1-[(5-methylfuran-2-yl)methyl]-1-(2-phenylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea.
What is the SMILES notation for 1-[(5-methylfuran-2-yl)methyl]-1-(2-phenylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea?
The canonical SMILES for 1-[(5-methylfuran-2-yl)methyl]-1-(2-phenylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea is Cc1ccc(CN(CCc2ccccc2)C(=S)NC2CC(C)(C)NC(C)(C)C2)o1.
What is the InChIKey of 1-[(5-methylfuran-2-yl)methyl]-1-(2-phenylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea?
The InChIKey is YHYDSEKSKZCUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3OS/c1-18-11-12-21(28-18)17-27(14-13-19-9-7-6-8-10-19)22(29)25-20-15-23(2,3)26-24(4,5)16-20/h6-12,20,26H,13-17H2,1-5H3,(H,25,29).
What are the key properties of 1-[(5-methylfuran-2-yl)methyl]-1-(2-phenylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea?
1-[(5-methylfuran-2-yl)methyl]-1-(2-phenylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea has a molecular weight of 413.63 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylfuran-2-yl)methyl]-1-(2-phenylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea is sourced from PubChem (CID 17066000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).