[(4-ethylthiadiazole-5-carbonyl)amino]urea

C6H9N5O2S — CID 65207691

IUPAC[(4-ethylthiadiazole-5-carbonyl)amino]urea
SMILESCCc1nnsc1C(=O)NNC(N)=O
InChIInChI=1S/C6H9N5O2S/c1-2-3-4(14-11-8-3)5(12)9-10-6(7)13/h2H2,1H3,(H,9,12)(H3,7,10,13)
InChIKeyBTLBVPPHHLEHEY-UHFFFAOYSA-N
MW215.24 g/mol
LogP-0.59
Rot. Bonds2

About [(4-ethylthiadiazole-5-carbonyl)amino]urea

[(4-ethylthiadiazole-5-carbonyl)amino]urea (PubChem CID 65207691) has the molecular formula C6H9N5O2S and a molecular weight of 215.24 g/mol. Its IUPAC name is [(4-ethylthiadiazole-5-carbonyl)amino]urea.

Molecular Properties

Compound Name[(4-ethylthiadiazole-5-carbonyl)amino]urea
PubChem CID65207691
Molecular FormulaC6H9N5O2S
Molecular Weight215.24 g/mol
Exact Mass215.05
IUPAC Name[(4-ethylthiadiazole-5-carbonyl)amino]urea
SMILESCCc1nnsc1C(=O)NNC(N)=O
InChIInChI=1S/C6H9N5O2S/c1-2-3-4(14-11-8-3)5(12)9-10-6(7)13/h2H2,1H3,(H,9,12)(H3,7,10,13)
InChIKeyBTLBVPPHHLEHEY-UHFFFAOYSA-N
XLogP-0.59
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 5-0.59
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 [(4-ethylthiadiazole-5-carbonyl)amino]urea?
The IUPAC name of [(4-ethylthiadiazole-5-carbonyl)amino]urea (CID 65207691) is [(4-ethylthiadiazole-5-carbonyl)amino]urea.
What is the SMILES notation for [(4-ethylthiadiazole-5-carbonyl)amino]urea?
The canonical SMILES for [(4-ethylthiadiazole-5-carbonyl)amino]urea is CCc1nnsc1C(=O)NNC(N)=O.
What is the InChIKey of [(4-ethylthiadiazole-5-carbonyl)amino]urea?
The InChIKey is BTLBVPPHHLEHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O2S/c1-2-3-4(14-11-8-3)5(12)9-10-6(7)13/h2H2,1H3,(H,9,12)(H3,7,10,13).
What are the key properties of [(4-ethylthiadiazole-5-carbonyl)amino]urea?
[(4-ethylthiadiazole-5-carbonyl)amino]urea has a molecular weight of 215.24 g/mol, XLogP of -0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-ethylthiadiazole-5-carbonyl)amino]urea is sourced from PubChem (CID 65207691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).