(thiadiazole-4-carbonylamino)urea

C4H5N5O2S — CID 65215872

IUPAC(thiadiazole-4-carbonylamino)urea
SMILESNC(=O)NNC(=O)c1csnn1
InChIInChI=1S/C4H5N5O2S/c5-4(11)8-7-3(10)2-1-12-9-6-2/h1H,(H,7,10)(H3,5,8,11)
InChIKeyAABJFEBFWYDOMC-UHFFFAOYSA-N
MW187.18 g/mol
LogP-1.15
Rot. Bonds1

About (thiadiazole-4-carbonylamino)urea

(thiadiazole-4-carbonylamino)urea (PubChem CID 65215872) has the molecular formula C4H5N5O2S and a molecular weight of 187.18 g/mol. Its IUPAC name is (thiadiazole-4-carbonylamino)urea.

Molecular Properties

Compound Name(thiadiazole-4-carbonylamino)urea
PubChem CID65215872
Molecular FormulaC4H5N5O2S
Molecular Weight187.18 g/mol
Exact Mass187.02
IUPAC Name(thiadiazole-4-carbonylamino)urea
SMILESNC(=O)NNC(=O)c1csnn1
InChIInChI=1S/C4H5N5O2S/c5-4(11)8-7-3(10)2-1-12-9-6-2/h1H,(H,7,10)(H3,5,8,11)
InChIKeyAABJFEBFWYDOMC-UHFFFAOYSA-N
XLogP-1.15
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.18
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (thiadiazole-4-carbonylamino)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 (thiadiazole-4-carbonylamino)urea?
The IUPAC name of (thiadiazole-4-carbonylamino)urea (CID 65215872) is (thiadiazole-4-carbonylamino)urea.
What is the SMILES notation for (thiadiazole-4-carbonylamino)urea?
The canonical SMILES for (thiadiazole-4-carbonylamino)urea is NC(=O)NNC(=O)c1csnn1.
What is the InChIKey of (thiadiazole-4-carbonylamino)urea?
The InChIKey is AABJFEBFWYDOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N5O2S/c5-4(11)8-7-3(10)2-1-12-9-6-2/h1H,(H,7,10)(H3,5,8,11).
What are the key properties of (thiadiazole-4-carbonylamino)urea?
(thiadiazole-4-carbonylamino)urea has a molecular weight of 187.18 g/mol, XLogP of -1.15, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (thiadiazole-4-carbonylamino)urea is sourced from PubChem (CID 65215872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).