3-(2,6-dimethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea

C18H24N2O2S — CID 3681422

IUPAC3-(2,6-dimethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea
SMILESCOCCN(C(=S)Nc1c(C)cccc1C)C(C)c1ccco1
InChIInChI=1S/C18H24N2O2S/c1-13-7-5-8-14(2)17(13)19-18(23)20(10-12-21-4)15(3)16-9-6-11-22-16/h5-9,11,15H,10,12H2,1-4H3,(H,19,23)
InChIKeyCPZDOUZIIVENRN-UHFFFAOYSA-N
MW332.47 g/mol
LogP4.30
Rot. Bonds6

About 3-(2,6-dimethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea

3-(2,6-dimethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea (PubChem CID 3681422) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea
PubChem CID3681422
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name3-(2,6-dimethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea
SMILESCOCCN(C(=S)Nc1c(C)cccc1C)C(C)c1ccco1
InChIInChI=1S/C18H24N2O2S/c1-13-7-5-8-14(2)17(13)19-18(23)20(10-12-21-4)15(3)16-9-6-11-22-16/h5-9,11,15H,10,12H2,1-4H3,(H,19,23)
InChIKeyCPZDOUZIIVENRN-UHFFFAOYSA-N
XLogP4.30
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Furan-2-ylmethyl)-3-(2-methylphenyl)thiourea
CID 694026
5-(2-Furylmethyl)-1-(4-methylphenyl)-1,3,5-triazinane-2-thione
CID 3546592
1-(4-Acetylphenyl)-3-(furan-2-ylmethyl)thiourea
CID 863535
N-(2-furylmethyl)-N'-[4-(4-morpholinylcarbonyl)phenyl]thiourea
CID 970217
N-(3-acetylphenyl)-N'-(2-furylmethyl)thiourea
CID 970276
4-({[(2-Furylmethyl)amino]carbonothioyl}amino)benzamide
CID 971328
1-(2,4-Dimethylphenyl)-3-(furan-2-ylmethyl)thiourea
CID 2826692
N'-(2-ethyl-6-methylphenyl)-N-[1-(2-furyl)ethyl]-N-(2-methoxyethyl)thiourea
CID 3681425
N-(2-furylmethyl)-N-(4-methylbenzyl)-N'-(2-methylphenyl)thiourea
CID 4153840
1-Benzyl-1-[(5-methylfuran-2-yl)methyl]-3-(2-methylphenyl)thiourea
CID 4276668
1-[2-(Furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylthiourea
CID 4833332
N-[2-(dimethylamino)ethyl]-N'-(2-ethylphenyl)-N-[1-(2-furyl)ethyl]thiourea
CID 5077637

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea?
The IUPAC name of 3-(2,6-dimethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea (CID 3681422) is 3-(2,6-dimethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea?
The canonical SMILES for 3-(2,6-dimethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea is COCCN(C(=S)Nc1c(C)cccc1C)C(C)c1ccco1.
What is the InChIKey of 3-(2,6-dimethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea?
The InChIKey is CPZDOUZIIVENRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-13-7-5-8-14(2)17(13)19-18(23)20(10-12-21-4)15(3)16-9-6-11-22-16/h5-9,11,15H,10,12H2,1-4H3,(H,19,23).
What are the key properties of 3-(2,6-dimethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea?
3-(2,6-dimethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea has a molecular weight of 332.47 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea is sourced from PubChem (CID 3681422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).