thiadiazol-5-ylurea

C3H4N4OS — CID 18352222

IUPACthiadiazol-5-ylurea
SMILESNC(=O)Nc1cnns1
InChIInChI=1S/C3H4N4OS/c4-3(8)6-2-1-5-7-9-2/h1H,(H3,4,6,8)
InChIKeyHQYZTGGAEAFKIO-UHFFFAOYSA-N
MW144.16 g/mol
LogP0.03
Rot. Bonds1

About thiadiazol-5-ylurea

thiadiazol-5-ylurea (PubChem CID 18352222) has the molecular formula C3H4N4OS and a molecular weight of 144.16 g/mol. Its IUPAC name is thiadiazol-5-ylurea.

Molecular Properties

Compound Namethiadiazol-5-ylurea
PubChem CID18352222
Molecular FormulaC3H4N4OS
Molecular Weight144.16 g/mol
Exact Mass144.01
IUPAC Namethiadiazol-5-ylurea
SMILESNC(=O)Nc1cnns1
InChIInChI=1S/C3H4N4OS/c4-3(8)6-2-1-5-7-9-2/h1H,(H3,4,6,8)
InChIKeyHQYZTGGAEAFKIO-UHFFFAOYSA-N
XLogP0.03
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.16
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of thiadiazol-5-ylurea?
The IUPAC name of thiadiazol-5-ylurea (CID 18352222) is thiadiazol-5-ylurea.
What is the SMILES notation for thiadiazol-5-ylurea?
The canonical SMILES for thiadiazol-5-ylurea is NC(=O)Nc1cnns1.
What is the InChIKey of thiadiazol-5-ylurea?
The InChIKey is HQYZTGGAEAFKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N4OS/c4-3(8)6-2-1-5-7-9-2/h1H,(H3,4,6,8).
What are the key properties of thiadiazol-5-ylurea?
thiadiazol-5-ylurea has a molecular weight of 144.16 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiadiazol-5-ylurea is sourced from PubChem (CID 18352222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).