2-[(carbamothioylamino)carbamothioylamino]acetamide

C4H9N5OS2 — CID 130668366

IUPAC2-[(carbamothioylamino)carbamothioylamino]acetamide
SMILESNC(=O)CNC(=S)NNC(N)=S
InChIInChI=1S/C4H9N5OS2/c5-2(10)1-7-4(12)9-8-3(6)11/h1H2,(H2,5,10)(H3,6,8,11)(H2,7,9,12)
InChIKeyDNHMPOOAIVZTHO-UHFFFAOYSA-N
MW207.28 g/mol
LogP-2.32
Rot. Bonds2

About 2-[(carbamothioylamino)carbamothioylamino]acetamide

2-[(carbamothioylamino)carbamothioylamino]acetamide (PubChem CID 130668366) has the molecular formula C4H9N5OS2 and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-[(carbamothioylamino)carbamothioylamino]acetamide.

Molecular Properties

Compound Name2-[(carbamothioylamino)carbamothioylamino]acetamide
PubChem CID130668366
Molecular FormulaC4H9N5OS2
Molecular Weight207.28 g/mol
Exact Mass207.02
IUPAC Name2-[(carbamothioylamino)carbamothioylamino]acetamide
SMILESNC(=O)CNC(=S)NNC(N)=S
InChIInChI=1S/C4H9N5OS2/c5-2(10)1-7-4(12)9-8-3(6)11/h1H2,(H2,5,10)(H3,6,8,11)(H2,7,9,12)
InChIKeyDNHMPOOAIVZTHO-UHFFFAOYSA-N
XLogP-2.32
TPSA105.20 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 5-2.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(carbamothioylamino)carbamothioylamino]acetamide 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 2-[(carbamothioylamino)carbamothioylamino]acetamide?
The IUPAC name of 2-[(carbamothioylamino)carbamothioylamino]acetamide (CID 130668366) is 2-[(carbamothioylamino)carbamothioylamino]acetamide.
What is the SMILES notation for 2-[(carbamothioylamino)carbamothioylamino]acetamide?
The canonical SMILES for 2-[(carbamothioylamino)carbamothioylamino]acetamide is NC(=O)CNC(=S)NNC(N)=S.
What is the InChIKey of 2-[(carbamothioylamino)carbamothioylamino]acetamide?
The InChIKey is DNHMPOOAIVZTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5OS2/c5-2(10)1-7-4(12)9-8-3(6)11/h1H2,(H2,5,10)(H3,6,8,11)(H2,7,9,12).
What are the key properties of 2-[(carbamothioylamino)carbamothioylamino]acetamide?
2-[(carbamothioylamino)carbamothioylamino]acetamide has a molecular weight of 207.28 g/mol, XLogP of -2.32, 2 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(carbamothioylamino)carbamothioylamino]acetamide is sourced from PubChem (CID 130668366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).