1-(2-methoxyethyl)-3-(3-methoxypropyl)-1-(2-methylpropyl)thiourea

C12H26N2O2S — CID 115579212

IUPAC1-(2-methoxyethyl)-3-(3-methoxypropyl)-1-(2-methylpropyl)thiourea
SMILESCOCCCNC(=S)N(CCOC)CC(C)C
InChIInChI=1S/C12H26N2O2S/c1-11(2)10-14(7-9-16-4)12(17)13-6-5-8-15-3/h11H,5-10H2,1-4H3,(H,13,17)
InChIKeyICHGBDYLFJMQOE-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.50
Rot. Bonds9

About 1-(2-methoxyethyl)-3-(3-methoxypropyl)-1-(2-methylpropyl)thiourea

1-(2-methoxyethyl)-3-(3-methoxypropyl)-1-(2-methylpropyl)thiourea (PubChem CID 115579212) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(3-methoxypropyl)-1-(2-methylpropyl)thiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(3-methoxypropyl)-1-(2-methylpropyl)thiourea
PubChem CID115579212
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name1-(2-methoxyethyl)-3-(3-methoxypropyl)-1-(2-methylpropyl)thiourea
SMILESCOCCCNC(=S)N(CCOC)CC(C)C
InChIInChI=1S/C12H26N2O2S/c1-11(2)10-14(7-9-16-4)12(17)13-6-5-8-15-3/h11H,5-10H2,1-4H3,(H,13,17)
InChIKeyICHGBDYLFJMQOE-UHFFFAOYSA-N
XLogP1.50
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.50
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'}

Analyze 1-(2-methoxyethyl)-3-(3-methoxypropyl)-1-(2-methylpropyl)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

N,N'-di(2-methoxyethyl)-N-methylthiourea
CID 115587973
1-(2-Methoxyethyl)-3-propylthiourea
CID 19650575
N,N'-Bis(3-methoxypropyl)thiourea
CID 19652121
1,1-Dibutyl-3-(3-methoxypropyl)thiourea
CID 19653171
1-Methyl-3-[2-[3-(methylamino)propoxy]ethyl]thiourea
CID 174282056
1,3-Bis(2-methoxypropyl)thiourea
CID 176381849
N-(3-propan-2-yloxypropyl)morpholine-4-carbothioamide
CID 2031379
N-(2-methylpropyl)morpholine-4-carbothioamide
CID 3421417
N-(3-methoxypropyl)-2,6-dimethylmorpholine-4-carbothioamide
CID 4767625
N-(3-methoxypropyl)morpholine-4-carbothioamide
CID 5080352
3-(2-Methoxyethyl)-1,1-bis(2-methylpropyl)thiourea
CID 17278280
1-(2-Methoxyethyl)-3-(2-methylpropyl)thiourea
CID 19650635

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(3-methoxypropyl)-1-(2-methylpropyl)thiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-(3-methoxypropyl)-1-(2-methylpropyl)thiourea (CID 115579212) is 1-(2-methoxyethyl)-3-(3-methoxypropyl)-1-(2-methylpropyl)thiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(3-methoxypropyl)-1-(2-methylpropyl)thiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(3-methoxypropyl)-1-(2-methylpropyl)thiourea is COCCCNC(=S)N(CCOC)CC(C)C.
What is the InChIKey of 1-(2-methoxyethyl)-3-(3-methoxypropyl)-1-(2-methylpropyl)thiourea?
The InChIKey is ICHGBDYLFJMQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-11(2)10-14(7-9-16-4)12(17)13-6-5-8-15-3/h11H,5-10H2,1-4H3,(H,13,17).
What are the key properties of 1-(2-methoxyethyl)-3-(3-methoxypropyl)-1-(2-methylpropyl)thiourea?
1-(2-methoxyethyl)-3-(3-methoxypropyl)-1-(2-methylpropyl)thiourea has a molecular weight of 262.42 g/mol, XLogP of 1.50, 9 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-methoxypropyl)-1-(2-methylpropyl)thiourea is sourced from PubChem (CID 115579212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).