[(E)-1-pyridin-2-ylethylideneamino]thiourea

C8H10N4S — CID 5480198

IUPAC[(E)-1-pyridin-2-ylethylideneamino]thiourea
SMILESC/C(=N\NC(N)=S)c1ccccn1
InChIInChI=1S/C8H10N4S/c1-6(11-12-8(9)13)7-4-2-3-5-10-7/h2-5H,1H3,(H3,9,12,13)/b11-6+
InChIKeyRIFVPOHZBSIFRL-IZZDOVSWSA-N
MW194.26 g/mol
LogP0.64
Rot. Bonds2

About [(E)-1-pyridin-2-ylethylideneamino]thiourea

[(E)-1-pyridin-2-ylethylideneamino]thiourea (PubChem CID 5480198) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is [(E)-1-pyridin-2-ylethylideneamino]thiourea.

Molecular Properties

Compound Name[(E)-1-pyridin-2-ylethylideneamino]thiourea
PubChem CID5480198
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name[(E)-1-pyridin-2-ylethylideneamino]thiourea
SMILESC/C(=N\NC(N)=S)c1ccccn1
InChIInChI=1S/C8H10N4S/c1-6(11-12-8(9)13)7-4-2-3-5-10-7/h2-5H,1H3,(H3,9,12,13)/b11-6+
InChIKeyRIFVPOHZBSIFRL-IZZDOVSWSA-N
XLogP0.64
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-1-pyridin-2-ylethylideneamino]thiourea?
The IUPAC name of [(E)-1-pyridin-2-ylethylideneamino]thiourea (CID 5480198) is [(E)-1-pyridin-2-ylethylideneamino]thiourea.
What is the SMILES notation for [(E)-1-pyridin-2-ylethylideneamino]thiourea?
The canonical SMILES for [(E)-1-pyridin-2-ylethylideneamino]thiourea is C/C(=N\NC(N)=S)c1ccccn1.
What is the InChIKey of [(E)-1-pyridin-2-ylethylideneamino]thiourea?
The InChIKey is RIFVPOHZBSIFRL-IZZDOVSWSA-N. The full InChI is InChI=1S/C8H10N4S/c1-6(11-12-8(9)13)7-4-2-3-5-10-7/h2-5H,1H3,(H3,9,12,13)/b11-6+.
What are the key properties of [(E)-1-pyridin-2-ylethylideneamino]thiourea?
[(E)-1-pyridin-2-ylethylideneamino]thiourea has a molecular weight of 194.26 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-pyridin-2-ylethylideneamino]thiourea is sourced from PubChem (CID 5480198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).