1-(dimethylamino)-3-(2-methoxyethyl)thiourea

C6H15N3OS — CID 115570440

IUPAC1-(dimethylamino)-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)NN(C)C
InChIInChI=1S/C6H15N3OS/c1-9(2)8-6(11)7-4-5-10-3/h4-5H2,1-3H3,(H2,7,8,11)
InChIKeyLHBOGVDOZALNSI-UHFFFAOYSA-N
MW177.27 g/mol
LogP-0.43
Rot. Bonds4

About 1-(dimethylamino)-3-(2-methoxyethyl)thiourea

1-(dimethylamino)-3-(2-methoxyethyl)thiourea (PubChem CID 115570440) has the molecular formula C6H15N3OS and a molecular weight of 177.27 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name1-(dimethylamino)-3-(2-methoxyethyl)thiourea
PubChem CID115570440
Molecular FormulaC6H15N3OS
Molecular Weight177.27 g/mol
Exact Mass177.09
IUPAC Name1-(dimethylamino)-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)NN(C)C
InChIInChI=1S/C6H15N3OS/c1-9(2)8-6(11)7-4-5-10-3/h4-5H2,1-3H3,(H2,7,8,11)
InChIKeyLHBOGVDOZALNSI-UHFFFAOYSA-N
XLogP-0.43
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(dimethylamino)-3-(2-methoxyethyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2-methoxyethyl)thiourea
CID 115570241
1-(dimethylamino)-3-hexylthiourea
CID 4066671
1-(2-methoxyethyl)-3-(3-methylbutyl)thiourea
CID 19652189
1-(2-methoxyethyl)-3-prop-2-enylthiourea
CID 19652099
1-(2-methoxyethyl)-3-nonylthiourea
CID 19651136
N'-(2-methoxyethyl)ethanedithioamide
CID 12684688
1-(2,3-dimethylbutyl)-3-(2-methoxyethyl)thiourea
CID 115642325
1-(2-methoxyethyl)-3-(2,2,3,3-tetramethylcyclopropyl)thiourea
CID 115674490
3-(2-methoxyethyl)-1-methyl-1-pentan-3-ylthiourea
CID 115578961
1-(2-methoxyethyl)-3-(1-methoxy-3-methylbutan-2-yl)thiourea
CID 115647012
1-(2-cyclopentylethyl)-3-(2-methoxyethyl)thiourea
CID 115578349
1-(2-methoxyethyl)-3-(2-methylsulfanylpropyl)thiourea
CID 115760801

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(2-methoxyethyl)thiourea?
The IUPAC name of 1-(dimethylamino)-3-(2-methoxyethyl)thiourea (CID 115570440) is 1-(dimethylamino)-3-(2-methoxyethyl)thiourea.
What is the SMILES notation for 1-(dimethylamino)-3-(2-methoxyethyl)thiourea?
The canonical SMILES for 1-(dimethylamino)-3-(2-methoxyethyl)thiourea is COCCNC(=S)NN(C)C.
What is the InChIKey of 1-(dimethylamino)-3-(2-methoxyethyl)thiourea?
The InChIKey is LHBOGVDOZALNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3OS/c1-9(2)8-6(11)7-4-5-10-3/h4-5H2,1-3H3,(H2,7,8,11).
What are the key properties of 1-(dimethylamino)-3-(2-methoxyethyl)thiourea?
1-(dimethylamino)-3-(2-methoxyethyl)thiourea has a molecular weight of 177.27 g/mol, XLogP of -0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(2-methoxyethyl)thiourea is sourced from PubChem (CID 115570440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).