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

C6H9N5OS2 — CID 65217028

IUPAC[(4-ethylthiadiazole-5-carbonyl)amino]thiourea
SMILESCCc1nnsc1C(=O)NNC(N)=S
InChIInChI=1S/C6H9N5OS2/c1-2-3-4(14-11-8-3)5(12)9-10-6(7)13/h2H2,1H3,(H,9,12)(H3,7,10,13)
InChIKeyRYNJMIQSLXNOIG-UHFFFAOYSA-N
MW231.31 g/mol
LogP-0.42
Rot. Bonds2

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

[(4-ethylthiadiazole-5-carbonyl)amino]thiourea (PubChem CID 65217028) has the molecular formula C6H9N5OS2 and a molecular weight of 231.31 g/mol. Its IUPAC name is [(4-ethylthiadiazole-5-carbonyl)amino]thiourea.

Molecular Properties

Compound Name[(4-ethylthiadiazole-5-carbonyl)amino]thiourea
PubChem CID65217028
Molecular FormulaC6H9N5OS2
Molecular Weight231.31 g/mol
Exact Mass231.02
IUPAC Name[(4-ethylthiadiazole-5-carbonyl)amino]thiourea
SMILESCCc1nnsc1C(=O)NNC(N)=S
InChIInChI=1S/C6H9N5OS2/c1-2-3-4(14-11-8-3)5(12)9-10-6(7)13/h2H2,1H3,(H,9,12)(H3,7,10,13)
InChIKeyRYNJMIQSLXNOIG-UHFFFAOYSA-N
XLogP-0.42
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4-ethylthiadiazole-5-carbonyl)amino]thiourea?
The IUPAC name of [(4-ethylthiadiazole-5-carbonyl)amino]thiourea (CID 65217028) is [(4-ethylthiadiazole-5-carbonyl)amino]thiourea.
What is the SMILES notation for [(4-ethylthiadiazole-5-carbonyl)amino]thiourea?
The canonical SMILES for [(4-ethylthiadiazole-5-carbonyl)amino]thiourea is CCc1nnsc1C(=O)NNC(N)=S.
What is the InChIKey of [(4-ethylthiadiazole-5-carbonyl)amino]thiourea?
The InChIKey is RYNJMIQSLXNOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5OS2/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]thiourea?
[(4-ethylthiadiazole-5-carbonyl)amino]thiourea has a molecular weight of 231.31 g/mol, XLogP of -0.42, 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]thiourea is sourced from PubChem (CID 65217028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).