1-methyl-3-(propanoylamino)thiourea

C5H11N3OS — CID 87145727

IUPAC1-methyl-3-(propanoylamino)thiourea
SMILESCCC(=O)NNC(=S)NC
InChIInChI=1S/C5H11N3OS/c1-3-4(9)7-8-5(10)6-2/h3H2,1-2H3,(H,7,9)(H2,6,8,10)
InChIKeyFUHHUVXHWSVKFB-UHFFFAOYSA-N
MW161.23 g/mol
LogP-0.48
Rot. Bonds1

About 1-methyl-3-(propanoylamino)thiourea

1-methyl-3-(propanoylamino)thiourea (PubChem CID 87145727) has the molecular formula C5H11N3OS and a molecular weight of 161.23 g/mol. Its IUPAC name is 1-methyl-3-(propanoylamino)thiourea.

Molecular Properties

Compound Name1-methyl-3-(propanoylamino)thiourea
PubChem CID87145727
Molecular FormulaC5H11N3OS
Molecular Weight161.23 g/mol
Exact Mass161.06
IUPAC Name1-methyl-3-(propanoylamino)thiourea
SMILESCCC(=O)NNC(=S)NC
InChIInChI=1S/C5H11N3OS/c1-3-4(9)7-8-5(10)6-2/h3H2,1-2H3,(H,7,9)(H2,6,8,10)
InChIKeyFUHHUVXHWSVKFB-UHFFFAOYSA-N
XLogP-0.48
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-3-(propanoylamino)thiourea 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-methyl-3-(propanoylamino)thiourea?
The IUPAC name of 1-methyl-3-(propanoylamino)thiourea (CID 87145727) is 1-methyl-3-(propanoylamino)thiourea.
What is the SMILES notation for 1-methyl-3-(propanoylamino)thiourea?
The canonical SMILES for 1-methyl-3-(propanoylamino)thiourea is CCC(=O)NNC(=S)NC.
What is the InChIKey of 1-methyl-3-(propanoylamino)thiourea?
The InChIKey is FUHHUVXHWSVKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3OS/c1-3-4(9)7-8-5(10)6-2/h3H2,1-2H3,(H,7,9)(H2,6,8,10).
What are the key properties of 1-methyl-3-(propanoylamino)thiourea?
1-methyl-3-(propanoylamino)thiourea has a molecular weight of 161.23 g/mol, XLogP of -0.48, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(propanoylamino)thiourea is sourced from PubChem (CID 87145727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).