1-acetamido-3-aminothiourea

C3H8N4OS — CID 19065736

IUPAC1-acetamido-3-aminothiourea
SMILESCC(=O)NNC(=S)NN
InChIInChI=1S/C3H8N4OS/c1-2(8)6-7-3(9)5-4/h4H2,1H3,(H,6,8)(H2,5,7,9)
InChIKeyLSMOTVITDXRWHH-UHFFFAOYSA-N
MW148.19 g/mol
LogP-1.62
Rot. Bonds

About 1-acetamido-3-aminothiourea

1-acetamido-3-aminothiourea (PubChem CID 19065736) has the molecular formula C3H8N4OS and a molecular weight of 148.19 g/mol. Its IUPAC name is 1-acetamido-3-aminothiourea.

Molecular Properties

Compound Name1-acetamido-3-aminothiourea
PubChem CID19065736
Molecular FormulaC3H8N4OS
Molecular Weight148.19 g/mol
Exact Mass148.04
IUPAC Name1-acetamido-3-aminothiourea
SMILESCC(=O)NNC(=S)NN
InChIInChI=1S/C3H8N4OS/c1-2(8)6-7-3(9)5-4/h4H2,1H3,(H,6,8)(H2,5,7,9)
InChIKeyLSMOTVITDXRWHH-UHFFFAOYSA-N
XLogP-1.62
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.19
LogP ≤ 5-1.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of 1-acetamido-3-aminothiourea?
The IUPAC name of 1-acetamido-3-aminothiourea (CID 19065736) is 1-acetamido-3-aminothiourea.
What is the SMILES notation for 1-acetamido-3-aminothiourea?
The canonical SMILES for 1-acetamido-3-aminothiourea is CC(=O)NNC(=S)NN.
What is the InChIKey of 1-acetamido-3-aminothiourea?
The InChIKey is LSMOTVITDXRWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N4OS/c1-2(8)6-7-3(9)5-4/h4H2,1H3,(H,6,8)(H2,5,7,9).
What are the key properties of 1-acetamido-3-aminothiourea?
1-acetamido-3-aminothiourea has a molecular weight of 148.19 g/mol, XLogP of -1.62, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-3-aminothiourea is sourced from PubChem (CID 19065736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).