1-methyl-3-(thiadiazole-4-carbonylamino)urea

C5H7N5O2S — CID 47383732

IUPAC1-methyl-3-(thiadiazole-4-carbonylamino)urea
SMILESCNC(=O)NNC(=O)c1csnn1
InChIInChI=1S/C5H7N5O2S/c1-6-5(12)9-8-4(11)3-2-13-10-7-3/h2H,1H3,(H,8,11)(H2,6,9,12)
InChIKeyLNAZDJQUEBOIPY-UHFFFAOYSA-N
MW201.21 g/mol
LogP-0.89
Rot. Bonds1

About 1-methyl-3-(thiadiazole-4-carbonylamino)urea

1-methyl-3-(thiadiazole-4-carbonylamino)urea (PubChem CID 47383732) has the molecular formula C5H7N5O2S and a molecular weight of 201.21 g/mol. Its IUPAC name is 1-methyl-3-(thiadiazole-4-carbonylamino)urea.

Molecular Properties

Compound Name1-methyl-3-(thiadiazole-4-carbonylamino)urea
PubChem CID47383732
Molecular FormulaC5H7N5O2S
Molecular Weight201.21 g/mol
Exact Mass201.03
IUPAC Name1-methyl-3-(thiadiazole-4-carbonylamino)urea
SMILESCNC(=O)NNC(=O)c1csnn1
InChIInChI=1S/C5H7N5O2S/c1-6-5(12)9-8-4(11)3-2-13-10-7-3/h2H,1H3,(H,8,11)(H2,6,9,12)
InChIKeyLNAZDJQUEBOIPY-UHFFFAOYSA-N
XLogP-0.89
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(thiadiazole-4-carbonylamino)urea?
The IUPAC name of 1-methyl-3-(thiadiazole-4-carbonylamino)urea (CID 47383732) is 1-methyl-3-(thiadiazole-4-carbonylamino)urea.
What is the SMILES notation for 1-methyl-3-(thiadiazole-4-carbonylamino)urea?
The canonical SMILES for 1-methyl-3-(thiadiazole-4-carbonylamino)urea is CNC(=O)NNC(=O)c1csnn1.
What is the InChIKey of 1-methyl-3-(thiadiazole-4-carbonylamino)urea?
The InChIKey is LNAZDJQUEBOIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O2S/c1-6-5(12)9-8-4(11)3-2-13-10-7-3/h2H,1H3,(H,8,11)(H2,6,9,12).
What are the key properties of 1-methyl-3-(thiadiazole-4-carbonylamino)urea?
1-methyl-3-(thiadiazole-4-carbonylamino)urea has a molecular weight of 201.21 g/mol, XLogP of -0.89, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(thiadiazole-4-carbonylamino)urea is sourced from PubChem (CID 47383732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).