3-amino-1-methyl-1-propylthiourea

C5H13N3S — CID 156741750

IUPAC3-amino-1-methyl-1-propylthiourea
SMILESCCCN(C)C(=S)NN
InChIInChI=1S/C5H13N3S/c1-3-4-8(2)5(9)7-6/h3-4,6H2,1-2H3,(H,7,9)
InChIKeyOEAZJQKSXMJJNP-UHFFFAOYSA-N
MW147.25 g/mol
LogP0.08
Rot. Bonds2

About 3-amino-1-methyl-1-propylthiourea

3-amino-1-methyl-1-propylthiourea (PubChem CID 156741750) has the molecular formula C5H13N3S and a molecular weight of 147.25 g/mol. Its IUPAC name is 3-amino-1-methyl-1-propylthiourea.

Molecular Properties

Compound Name3-amino-1-methyl-1-propylthiourea
PubChem CID156741750
Molecular FormulaC5H13N3S
Molecular Weight147.25 g/mol
Exact Mass147.08
IUPAC Name3-amino-1-methyl-1-propylthiourea
SMILESCCCN(C)C(=S)NN
InChIInChI=1S/C5H13N3S/c1-3-4-8(2)5(9)7-6/h3-4,6H2,1-2H3,(H,7,9)
InChIKeyOEAZJQKSXMJJNP-UHFFFAOYSA-N
XLogP0.08
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.25
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-1-methyl-1-propylthiourea 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 3-amino-1-methyl-1-propylthiourea?
The IUPAC name of 3-amino-1-methyl-1-propylthiourea (CID 156741750) is 3-amino-1-methyl-1-propylthiourea.
What is the SMILES notation for 3-amino-1-methyl-1-propylthiourea?
The canonical SMILES for 3-amino-1-methyl-1-propylthiourea is CCCN(C)C(=S)NN.
What is the InChIKey of 3-amino-1-methyl-1-propylthiourea?
The InChIKey is OEAZJQKSXMJJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3S/c1-3-4-8(2)5(9)7-6/h3-4,6H2,1-2H3,(H,7,9).
What are the key properties of 3-amino-1-methyl-1-propylthiourea?
3-amino-1-methyl-1-propylthiourea has a molecular weight of 147.25 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-1-propylthiourea is sourced from PubChem (CID 156741750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).