1-(2-methoxyethyl)-3-(thiadiazol-5-yl)urea

C6H10N4O2S — CID 118947625

IUPAC1-(2-methoxyethyl)-3-(thiadiazol-5-yl)urea
SMILESCOCCNC(=O)Nc1cnns1
InChIInChI=1S/C6H10N4O2S/c1-12-3-2-7-6(11)9-5-4-8-10-13-5/h4H,2-3H2,1H3,(H2,7,9,11)
InChIKeyCWRKXBLDXDPZHP-UHFFFAOYSA-N
MW202.24 g/mol
LogP0.31
Rot. Bonds4

About 1-(2-methoxyethyl)-3-(thiadiazol-5-yl)urea

1-(2-methoxyethyl)-3-(thiadiazol-5-yl)urea (PubChem CID 118947625) has the molecular formula C6H10N4O2S and a molecular weight of 202.24 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(thiadiazol-5-yl)urea
PubChem CID118947625
Molecular FormulaC6H10N4O2S
Molecular Weight202.24 g/mol
Exact Mass202.05
IUPAC Name1-(2-methoxyethyl)-3-(thiadiazol-5-yl)urea
SMILESCOCCNC(=O)Nc1cnns1
InChIInChI=1S/C6H10N4O2S/c1-12-3-2-7-6(11)9-5-4-8-10-13-5/h4H,2-3H2,1H3,(H2,7,9,11)
InChIKeyCWRKXBLDXDPZHP-UHFFFAOYSA-N
XLogP0.31
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2-methoxyethyl)-3-(thiadiazol-5-yl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(thiadiazol-5-yl)urea?
The IUPAC name of 1-(2-methoxyethyl)-3-(thiadiazol-5-yl)urea (CID 118947625) is 1-(2-methoxyethyl)-3-(thiadiazol-5-yl)urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(thiadiazol-5-yl)urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(thiadiazol-5-yl)urea is COCCNC(=O)Nc1cnns1.
What is the InChIKey of 1-(2-methoxyethyl)-3-(thiadiazol-5-yl)urea?
The InChIKey is CWRKXBLDXDPZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2S/c1-12-3-2-7-6(11)9-5-4-8-10-13-5/h4H,2-3H2,1H3,(H2,7,9,11).
What are the key properties of 1-(2-methoxyethyl)-3-(thiadiazol-5-yl)urea?
1-(2-methoxyethyl)-3-(thiadiazol-5-yl)urea has a molecular weight of 202.24 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(thiadiazol-5-yl)urea is sourced from PubChem (CID 118947625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).