[(E)-(5-hydroxy-2-pyridinyl)methylideneamino]thiourea

C7H8N4OS — CID 135453292

IUPAC[(E)-(5-hydroxy-2-pyridinyl)methylideneamino]thiourea
SMILESNC(=S)N/N=C/c1ccc(O)cn1
InChIInChI=1S/C7H8N4OS/c8-7(13)11-10-3-5-1-2-6(12)4-9-5/h1-4,12H,(H3,8,11,13)/b10-3+
InChIKeyLJHGXGDHNOZLFT-XCVCLJGOSA-N
MW196.24 g/mol
LogP-0.05
Rot. Bonds2

About [(E)-(5-hydroxy-2-pyridinyl)methylideneamino]thiourea

[(E)-(5-hydroxy-2-pyridinyl)methylideneamino]thiourea (PubChem CID 135453292) has the molecular formula C7H8N4OS and a molecular weight of 196.24 g/mol. Its IUPAC name is [(E)-(5-hydroxy-2-pyridinyl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(E)-(5-hydroxy-2-pyridinyl)methylideneamino]thiourea
PubChem CID135453292
Molecular FormulaC7H8N4OS
Molecular Weight196.24 g/mol
Exact Mass196.04
IUPAC Name[(E)-(5-hydroxy-2-pyridinyl)methylideneamino]thiourea
SMILESNC(=S)N/N=C/c1ccc(O)cn1
InChIInChI=1S/C7H8N4OS/c8-7(13)11-10-3-5-1-2-6(12)4-9-5/h1-4,12H,(H3,8,11,13)/b10-3+
InChIKeyLJHGXGDHNOZLFT-XCVCLJGOSA-N
XLogP-0.05
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
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)-(5-hydroxy-2-pyridinyl)methylideneamino]thiourea?
The IUPAC name of [(E)-(5-hydroxy-2-pyridinyl)methylideneamino]thiourea (CID 135453292) is [(E)-(5-hydroxy-2-pyridinyl)methylideneamino]thiourea.
What is the SMILES notation for [(E)-(5-hydroxy-2-pyridinyl)methylideneamino]thiourea?
The canonical SMILES for [(E)-(5-hydroxy-2-pyridinyl)methylideneamino]thiourea is NC(=S)N/N=C/c1ccc(O)cn1.
What is the InChIKey of [(E)-(5-hydroxy-2-pyridinyl)methylideneamino]thiourea?
The InChIKey is LJHGXGDHNOZLFT-XCVCLJGOSA-N. The full InChI is InChI=1S/C7H8N4OS/c8-7(13)11-10-3-5-1-2-6(12)4-9-5/h1-4,12H,(H3,8,11,13)/b10-3+.
What are the key properties of [(E)-(5-hydroxy-2-pyridinyl)methylideneamino]thiourea?
[(E)-(5-hydroxy-2-pyridinyl)methylideneamino]thiourea has a molecular weight of 196.24 g/mol, XLogP of -0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(5-hydroxy-2-pyridinyl)methylideneamino]thiourea is sourced from PubChem (CID 135453292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).