1-(2-methoxyethyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea

C11H18N2OS2 — CID 115579604

IUPAC1-(2-methoxyethyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea
SMILESCOCCNC(=S)NC(C)Cc1cccs1
InChIInChI=1S/C11H18N2OS2/c1-9(8-10-4-3-7-16-10)13-11(15)12-5-6-14-2/h3-4,7,9H,5-6,8H2,1-2H3,(H2,12,13,15)
InChIKeyQAWZOXRASSJILO-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.79
Rot. Bonds6

About 1-(2-methoxyethyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea

1-(2-methoxyethyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea (PubChem CID 115579604) has the molecular formula C11H18N2OS2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea
PubChem CID115579604
Molecular FormulaC11H18N2OS2
Molecular Weight258.41 g/mol
Exact Mass258.09
IUPAC Name1-(2-methoxyethyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea
SMILESCOCCNC(=S)NC(C)Cc1cccs1
InChIInChI=1S/C11H18N2OS2/c1-9(8-10-4-3-7-16-10)13-11(15)12-5-6-14-2/h3-4,7,9H,5-6,8H2,1-2H3,(H2,12,13,15)
InChIKeyQAWZOXRASSJILO-UHFFFAOYSA-N
XLogP1.79
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxypropyl)-3-(2-methyl-1-thiophen-2-ylpropyl)thiourea
CID 115573195
1-(2-methoxyethyl)-2-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine
CID 111491932
1-(2-methoxyethyl)-2-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111491931
methane;N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 159530206
N-[2-(3-methoxypropoxy)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 103178999
1-ethyl-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea
CID 115571943
N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
CID 670280
1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 45497246
2-(propan-2-ylamino)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 60842186
1-(1-methoxypropan-2-yl)-3-(1-thiophen-2-ylethyl)thiourea
CID 115570731
3-bromo-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 82110960
3-methoxy-2-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid
CID 103251820

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea (CID 115579604) is 1-(2-methoxyethyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea is COCCNC(=S)NC(C)Cc1cccs1.
What is the InChIKey of 1-(2-methoxyethyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea?
The InChIKey is QAWZOXRASSJILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS2/c1-9(8-10-4-3-7-16-10)13-11(15)12-5-6-14-2/h3-4,7,9H,5-6,8H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-(2-methoxyethyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea?
1-(2-methoxyethyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea has a molecular weight of 258.41 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea is sourced from PubChem (CID 115579604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).