1-ethyl-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea

C11H18N2OS2 — CID 115571943

IUPAC1-ethyl-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea
SMILESCCN(Cc1cccs1)C(=S)NCCOC
InChIInChI=1S/C11H18N2OS2/c1-3-13(9-10-5-4-8-16-10)11(15)12-6-7-14-2/h4-5,8H,3,6-7,9H2,1-2H3,(H,12,15)
InChIKeyGBQSWSMOUAFUCQ-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.09
Rot. Bonds6

About 1-ethyl-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea

1-ethyl-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea (PubChem CID 115571943) has the molecular formula C11H18N2OS2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-ethyl-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea.

Molecular Properties

Compound Name1-ethyl-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea
PubChem CID115571943
Molecular FormulaC11H18N2OS2
Molecular Weight258.41 g/mol
Exact Mass258.09
IUPAC Name1-ethyl-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea
SMILESCCN(Cc1cccs1)C(=S)NCCOC
InChIInChI=1S/C11H18N2OS2/c1-3-13(9-10-5-4-8-16-10)11(15)12-6-7-14-2/h4-5,8H,3,6-7,9H2,1-2H3,(H,12,15)
InChIKeyGBQSWSMOUAFUCQ-UHFFFAOYSA-N
XLogP2.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
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-(furan-2-ylmethyl)-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea
CID 16554026
N-ethyl-2-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 103602479
1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea
CID 2158048
1-(2-methoxyethyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea
CID 115579604
N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-methoxypentanoic acid
CID 81084411
1-benzyl-3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)thiourea
CID 3294970
tert-butyl N-[4-[ethyl(thiophen-2-ylmethyl)amino]-4-oxobutyl]carbamate
CID 134029504
1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methoxypropyl)-1-(thiophen-2-ylmethyl)thiourea
CID 3174029
3-(1-methoxypropan-2-yl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea
CID 115570922
N'-ethyl-N-(3-methoxypropyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 55089552
2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119685041

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea?
The IUPAC name of 1-ethyl-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea (CID 115571943) is 1-ethyl-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea.
What is the SMILES notation for 1-ethyl-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea?
The canonical SMILES for 1-ethyl-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea is CCN(Cc1cccs1)C(=S)NCCOC.
What is the InChIKey of 1-ethyl-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea?
The InChIKey is GBQSWSMOUAFUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS2/c1-3-13(9-10-5-4-8-16-10)11(15)12-6-7-14-2/h4-5,8H,3,6-7,9H2,1-2H3,(H,12,15).
What are the key properties of 1-ethyl-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea?
1-ethyl-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea has a molecular weight of 258.41 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea is sourced from PubChem (CID 115571943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).