1-(3-hydroxyphenyl)-3-pyridin-3-ylthiourea

C12H11N3OS — CID 717786

IUPAC1-(3-hydroxyphenyl)-3-pyridin-3-ylthiourea
SMILESOc1cccc(NC(=S)Nc2cccnc2)c1
InChIInChI=1S/C12H11N3OS/c16-11-5-1-3-9(7-11)14-12(17)15-10-4-2-6-13-8-10/h1-8,16H,(H2,14,15,17)
InChIKeySQIHIZYNGDSNRH-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.60
Rot. Bonds2

About 1-(3-hydroxyphenyl)-3-pyridin-3-ylthiourea

1-(3-hydroxyphenyl)-3-pyridin-3-ylthiourea (PubChem CID 717786) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-3-pyridin-3-ylthiourea.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-3-pyridin-3-ylthiourea
PubChem CID717786
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name1-(3-hydroxyphenyl)-3-pyridin-3-ylthiourea
SMILESOc1cccc(NC(=S)Nc2cccnc2)c1
InChIInChI=1S/C12H11N3OS/c16-11-5-1-3-9(7-11)14-12(17)15-10-4-2-6-13-8-10/h1-8,16H,(H2,14,15,17)
InChIKeySQIHIZYNGDSNRH-UHFFFAOYSA-N
XLogP2.60
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-3-pyridin-3-ylthiourea?
The IUPAC name of 1-(3-hydroxyphenyl)-3-pyridin-3-ylthiourea (CID 717786) is 1-(3-hydroxyphenyl)-3-pyridin-3-ylthiourea.
What is the SMILES notation for 1-(3-hydroxyphenyl)-3-pyridin-3-ylthiourea?
The canonical SMILES for 1-(3-hydroxyphenyl)-3-pyridin-3-ylthiourea is Oc1cccc(NC(=S)Nc2cccnc2)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-3-pyridin-3-ylthiourea?
The InChIKey is SQIHIZYNGDSNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c16-11-5-1-3-9(7-11)14-12(17)15-10-4-2-6-13-8-10/h1-8,16H,(H2,14,15,17).
What are the key properties of 1-(3-hydroxyphenyl)-3-pyridin-3-ylthiourea?
1-(3-hydroxyphenyl)-3-pyridin-3-ylthiourea has a molecular weight of 245.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-3-pyridin-3-ylthiourea is sourced from PubChem (CID 717786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).