1-(1-hydroxy-4-pyridinylidene)-3-phenylthiourea

C12H11N3OS — CID 134114156

IUPAC1-(1-hydroxy-4-pyridinylidene)-3-phenylthiourea
SMILESOn1ccc(=NC(=S)Nc2ccccc2)cc1
InChIInChI=1S/C12H11N3OS/c16-15-8-6-11(7-9-15)14-12(17)13-10-4-2-1-3-5-10/h1-9,16H,(H,13,17)
InChIKeyDNBYJMXNWNPHBP-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.02
Rot. Bonds1

About 1-(1-hydroxy-4-pyridinylidene)-3-phenylthiourea

1-(1-hydroxy-4-pyridinylidene)-3-phenylthiourea (PubChem CID 134114156) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 1-(1-hydroxy-4-pyridinylidene)-3-phenylthiourea.

Molecular Properties

Compound Name1-(1-hydroxy-4-pyridinylidene)-3-phenylthiourea
PubChem CID134114156
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name1-(1-hydroxy-4-pyridinylidene)-3-phenylthiourea
SMILESOn1ccc(=NC(=S)Nc2ccccc2)cc1
InChIInChI=1S/C12H11N3OS/c16-15-8-6-11(7-9-15)14-12(17)13-10-4-2-1-3-5-10/h1-9,16H,(H,13,17)
InChIKeyDNBYJMXNWNPHBP-UHFFFAOYSA-N
XLogP2.02
TPSA49.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1E)-1-(3,4-dimethyl-1,3-thiazol-2-ylidene)-3-phenylthiourea
CID 5400558
(1Z)-1-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-3-phenylthiourea
CID 6339644
1-(3,5-dimethyl-1,3-thiazolidin-2-ylidene)-3-phenylthiourea
CID 3310757
1-[(5R)-3,5-dimethyl-1,3-thiazolidin-2-ylidene]-3-phenylthiourea
CID 749063
(1Z)-1-(1-methylpyrrolidin-2-ylidene)-3-phenylthiourea
CID 88785803
(1Z)-1-(4-methyl-3-propyl-1,3-thiazol-2-ylidene)-3-phenylthiourea
CID 6341421
1-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)-3-phenylthiourea
CID 27162453
1-[anilino(phenyl)methylidene]-3-phenylthiourea
CID 2853502
(1E)-1-(5-oxo-1-phenylpyrazolidin-3-ylidene)-3-phenylthiourea
CID 135437500
1-(1-hydroxy-2-methyl-4-pyridinylidene)-3-phenylurea
CID 54070564
(1Z)-1-(1-hydroxy-2-phenyl-4-pyridinylidene)-3-phenylurea
CID 134097848
1-N,1-N'-diphenylethene-1,1-diamine
CID 18406310

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-pyridinylidene)-3-phenylthiourea?
The IUPAC name of 1-(1-hydroxy-4-pyridinylidene)-3-phenylthiourea (CID 134114156) is 1-(1-hydroxy-4-pyridinylidene)-3-phenylthiourea.
What is the SMILES notation for 1-(1-hydroxy-4-pyridinylidene)-3-phenylthiourea?
The canonical SMILES for 1-(1-hydroxy-4-pyridinylidene)-3-phenylthiourea is On1ccc(=NC(=S)Nc2ccccc2)cc1.
What is the InChIKey of 1-(1-hydroxy-4-pyridinylidene)-3-phenylthiourea?
The InChIKey is DNBYJMXNWNPHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c16-15-8-6-11(7-9-15)14-12(17)13-10-4-2-1-3-5-10/h1-9,16H,(H,13,17).
What are the key properties of 1-(1-hydroxy-4-pyridinylidene)-3-phenylthiourea?
1-(1-hydroxy-4-pyridinylidene)-3-phenylthiourea has a molecular weight of 245.31 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4-pyridinylidene)-3-phenylthiourea is sourced from PubChem (CID 134114156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).