[N'-(2-methoxyethyl)carbamimidoyl]thiourea

C5H12N4OS — CID 19439671

IUPAC[N'-(2-methoxyethyl)carbamimidoyl]thiourea
SMILESCOCC/N=C(\N)NC(N)=S
InChIInChI=1S/C5H12N4OS/c1-10-3-2-8-4(6)9-5(7)11/h2-3H2,1H3,(H5,6,7,8,9,11)
InChIKeyYDVQOPMXPKPQIF-UHFFFAOYSA-N
MW176.25 g/mol
LogP-1.22
Rot. Bonds3

About [N'-(2-methoxyethyl)carbamimidoyl]thiourea

[N'-(2-methoxyethyl)carbamimidoyl]thiourea (PubChem CID 19439671) has the molecular formula C5H12N4OS and a molecular weight of 176.25 g/mol. Its IUPAC name is [N'-(2-methoxyethyl)carbamimidoyl]thiourea.

Molecular Properties

Compound Name[N'-(2-methoxyethyl)carbamimidoyl]thiourea
PubChem CID19439671
Molecular FormulaC5H12N4OS
Molecular Weight176.25 g/mol
Exact Mass176.07
IUPAC Name[N'-(2-methoxyethyl)carbamimidoyl]thiourea
SMILESCOCC/N=C(\N)NC(N)=S
InChIInChI=1S/C5H12N4OS/c1-10-3-2-8-4(6)9-5(7)11/h2-3H2,1H3,(H5,6,7,8,9,11)
InChIKeyYDVQOPMXPKPQIF-UHFFFAOYSA-N
XLogP-1.22
TPSA85.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.25
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze [N'-(2-methoxyethyl)carbamimidoyl]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-hydroxy-2-(2-methoxyethyl)guanidine
CID 62482674
1-carbamimidoyl-2-(2-methoxyethyl)guanidine
CID 176521934
2-[2-(2-methoxyethoxy)ethyl]-1-(2-methoxyethyl)guanidine
CID 110918294
1-amino-2-(4-methoxybutyl)guanidine
CID 64866664
N-[2-[[N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 110913777
1-(2-tert-butylsulfonylethyl)-2-(2-methoxyethyl)guanidine
CID 111123490
1-(2-tert-butylsulfinylethyl)-2-(2-methoxyethyl)guanidine
CID 111424463
N'-(2-methoxyethyl)-3-methylbutanimidamide
CID 63181243
N-amino-N'-(2-methoxyethyl)-2,2-dimethylpropanimidamide
CID 62544152
1-[2-(4-ethylphenyl)ethyl]-2-(2-methoxyethyl)guanidine;hydroiodide
CID 111435778
1-tert-butyl-2-(5-methoxypentyl)guanidine
CID 103646401
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methoxyethyl)guanidine;hydroiodide
CID 111022579

Frequently Asked Questions

What is the IUPAC name of [N'-(2-methoxyethyl)carbamimidoyl]thiourea?
The IUPAC name of [N'-(2-methoxyethyl)carbamimidoyl]thiourea (CID 19439671) is [N'-(2-methoxyethyl)carbamimidoyl]thiourea.
What is the SMILES notation for [N'-(2-methoxyethyl)carbamimidoyl]thiourea?
The canonical SMILES for [N'-(2-methoxyethyl)carbamimidoyl]thiourea is COCC/N=C(\N)NC(N)=S.
What is the InChIKey of [N'-(2-methoxyethyl)carbamimidoyl]thiourea?
The InChIKey is YDVQOPMXPKPQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4OS/c1-10-3-2-8-4(6)9-5(7)11/h2-3H2,1H3,(H5,6,7,8,9,11).
What are the key properties of [N'-(2-methoxyethyl)carbamimidoyl]thiourea?
[N'-(2-methoxyethyl)carbamimidoyl]thiourea has a molecular weight of 176.25 g/mol, XLogP of -1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [N'-(2-methoxyethyl)carbamimidoyl]thiourea is sourced from PubChem (CID 19439671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).