[(E)-pyrazin-2-ylmethylideneamino]thiourea

C6H7N5S — CID 6436779

IUPAC[(E)-pyrazin-2-ylmethylideneamino]thiourea
SMILESNC(=S)N/N=C/c1cnccn1
InChIInChI=1S/C6H7N5S/c7-6(12)11-10-4-5-3-8-1-2-9-5/h1-4H,(H3,7,11,12)/b10-4+
InChIKeyFDSYXPPWCUWBHM-ONNFQVAWSA-N
MW181.22 g/mol
LogP-0.36
Rot. Bonds2

About [(E)-pyrazin-2-ylmethylideneamino]thiourea

[(E)-pyrazin-2-ylmethylideneamino]thiourea (PubChem CID 6436779) has the molecular formula C6H7N5S and a molecular weight of 181.22 g/mol. Its IUPAC name is [(E)-pyrazin-2-ylmethylideneamino]thiourea.

Molecular Properties

Compound Name[(E)-pyrazin-2-ylmethylideneamino]thiourea
PubChem CID6436779
Molecular FormulaC6H7N5S
Molecular Weight181.22 g/mol
Exact Mass181.04
IUPAC Name[(E)-pyrazin-2-ylmethylideneamino]thiourea
SMILESNC(=S)N/N=C/c1cnccn1
InChIInChI=1S/C6H7N5S/c7-6(12)11-10-4-5-3-8-1-2-9-5/h1-4H,(H3,7,11,12)/b10-4+
InChIKeyFDSYXPPWCUWBHM-ONNFQVAWSA-N
XLogP-0.36
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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 [(E)-pyrazin-2-ylmethylideneamino]thiourea?
The IUPAC name of [(E)-pyrazin-2-ylmethylideneamino]thiourea (CID 6436779) is [(E)-pyrazin-2-ylmethylideneamino]thiourea.
What is the SMILES notation for [(E)-pyrazin-2-ylmethylideneamino]thiourea?
The canonical SMILES for [(E)-pyrazin-2-ylmethylideneamino]thiourea is NC(=S)N/N=C/c1cnccn1.
What is the InChIKey of [(E)-pyrazin-2-ylmethylideneamino]thiourea?
The InChIKey is FDSYXPPWCUWBHM-ONNFQVAWSA-N. The full InChI is InChI=1S/C6H7N5S/c7-6(12)11-10-4-5-3-8-1-2-9-5/h1-4H,(H3,7,11,12)/b10-4+.
What are the key properties of [(E)-pyrazin-2-ylmethylideneamino]thiourea?
[(E)-pyrazin-2-ylmethylideneamino]thiourea has a molecular weight of 181.22 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-pyrazin-2-ylmethylideneamino]thiourea is sourced from PubChem (CID 6436779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).