1-(2-methoxyethyl)-3-(3-methylphenyl)-1-(1-thiophen-2-ylethyl)thiourea

C17H22N2OS2 — CID 3518093

IUPAC1-(2-methoxyethyl)-3-(3-methylphenyl)-1-(1-thiophen-2-ylethyl)thiourea
SMILESCOCCN(C(=S)Nc1cccc(C)c1)C(C)c1cccs1
InChIInChI=1S/C17H22N2OS2/c1-13-6-4-7-15(12-13)18-17(21)19(9-10-20-3)14(2)16-8-5-11-22-16/h4-8,11-12,14H,9-10H2,1-3H3,(H,18,21)
InChIKeyLHFGLMFDEJGDHP-UHFFFAOYSA-N
MW334.51 g/mol
LogP4.46
Rot. Bonds6

About 1-(2-methoxyethyl)-3-(3-methylphenyl)-1-(1-thiophen-2-ylethyl)thiourea

1-(2-methoxyethyl)-3-(3-methylphenyl)-1-(1-thiophen-2-ylethyl)thiourea (PubChem CID 3518093) has the molecular formula C17H22N2OS2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(3-methylphenyl)-1-(1-thiophen-2-ylethyl)thiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(3-methylphenyl)-1-(1-thiophen-2-ylethyl)thiourea
PubChem CID3518093
Molecular FormulaC17H22N2OS2
Molecular Weight334.51 g/mol
Exact Mass334.12
IUPAC Name1-(2-methoxyethyl)-3-(3-methylphenyl)-1-(1-thiophen-2-ylethyl)thiourea
SMILESCOCCN(C(=S)Nc1cccc(C)c1)C(C)c1cccs1
InChIInChI=1S/C17H22N2OS2/c1-13-6-4-7-15(12-13)18-17(21)19(9-10-20-3)14(2)16-8-5-11-22-16/h4-8,11-12,14H,9-10H2,1-3H3,(H,18,21)
InChIKeyLHFGLMFDEJGDHP-UHFFFAOYSA-N
XLogP4.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 54.46
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

N-[2-(dimethylamino)ethyl]-N'-(4-methylphenyl)-N-(thien-2-ylmethyl)thiourea
CID 4598531
N-[2-(dimethylamino)ethyl]-N'-(3-methylphenyl)-N-(thien-2-ylmethyl)thiourea
CID 4598533
N-benzyl-N'-(2-methylphenyl)-N-(thien-2-ylmethyl)thiourea
CID 16193217
N-[2-(dimethylamino)ethyl]-N'-(2-ethylphenyl)-N-(thien-2-ylmethyl)thiourea
CID 4600984
1-(2,3-Dimethylphenyl)-3-(thiophen-2-ylmethyl)thiourea
CID 800183
1-(4-Methylphenyl)-3-(thiophen-2-ylmethyl)thiourea
CID 805644
1-(2,5-Dimethylphenyl)-3-(thiophen-2-ylmethyl)thiourea
CID 2171389
1-(3-Methylphenyl)-3-(thiophen-2-ylmethyl)thiourea
CID 2177724
1-(4-Butylphenyl)-3-(thiophen-2-ylmethyl)thiourea
CID 2192957
1-(3,5-Dimethylphenyl)-3-(thiophen-2-ylmethyl)thiourea
CID 2917557
1-(9-Thiophen-2-ylmethyl-9-aza-bicyclo[3.3.1]non-3-yl)-3-m-tolyl-thiourea
CID 3218175
N-[2-(dimethylamino)ethyl]-N'-(3,4-dimethylphenyl)-N-(thien-2-ylmethyl)thiourea
CID 3507286

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(3-methylphenyl)-1-(1-thiophen-2-ylethyl)thiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-(3-methylphenyl)-1-(1-thiophen-2-ylethyl)thiourea (CID 3518093) is 1-(2-methoxyethyl)-3-(3-methylphenyl)-1-(1-thiophen-2-ylethyl)thiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(3-methylphenyl)-1-(1-thiophen-2-ylethyl)thiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(3-methylphenyl)-1-(1-thiophen-2-ylethyl)thiourea is COCCN(C(=S)Nc1cccc(C)c1)C(C)c1cccs1.
What is the InChIKey of 1-(2-methoxyethyl)-3-(3-methylphenyl)-1-(1-thiophen-2-ylethyl)thiourea?
The InChIKey is LHFGLMFDEJGDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS2/c1-13-6-4-7-15(12-13)18-17(21)19(9-10-20-3)14(2)16-8-5-11-22-16/h4-8,11-12,14H,9-10H2,1-3H3,(H,18,21).
What are the key properties of 1-(2-methoxyethyl)-3-(3-methylphenyl)-1-(1-thiophen-2-ylethyl)thiourea?
1-(2-methoxyethyl)-3-(3-methylphenyl)-1-(1-thiophen-2-ylethyl)thiourea has a molecular weight of 334.51 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(3-methylphenyl)-1-(1-thiophen-2-ylethyl)thiourea is sourced from PubChem (CID 3518093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).