1,3-dipyridin-2-ylthiourea

C11H10N4S — CID 702572

IUPAC1,3-dipyridin-2-ylthiourea
SMILESS=C(Nc1ccccn1)Nc1ccccn1
InChIInChI=1S/C11H10N4S/c16-11(14-9-5-1-3-7-12-9)15-10-6-2-4-8-13-10/h1-8H,(H2,12,13,14,15,16)
InChIKeyVADXORVZZWERFF-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.29
Rot. Bonds2

About 1,3-dipyridin-2-ylthiourea

1,3-dipyridin-2-ylthiourea (PubChem CID 702572) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is 1,3-dipyridin-2-ylthiourea.

Molecular Properties

Compound Name1,3-dipyridin-2-ylthiourea
PubChem CID702572
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name1,3-dipyridin-2-ylthiourea
SMILESS=C(Nc1ccccn1)Nc1ccccn1
InChIInChI=1S/C11H10N4S/c16-11(14-9-5-1-3-7-12-9)15-10-6-2-4-8-13-10/h1-8H,(H2,12,13,14,15,16)
InChIKeyVADXORVZZWERFF-UHFFFAOYSA-N
XLogP2.29
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.29
H-Bond Donors ≤ 52
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-dipyridin-2-ylthiourea?
The IUPAC name of 1,3-dipyridin-2-ylthiourea (CID 702572) is 1,3-dipyridin-2-ylthiourea.
What is the SMILES notation for 1,3-dipyridin-2-ylthiourea?
The canonical SMILES for 1,3-dipyridin-2-ylthiourea is S=C(Nc1ccccn1)Nc1ccccn1.
What is the InChIKey of 1,3-dipyridin-2-ylthiourea?
The InChIKey is VADXORVZZWERFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c16-11(14-9-5-1-3-7-12-9)15-10-6-2-4-8-13-10/h1-8H,(H2,12,13,14,15,16).
What are the key properties of 1,3-dipyridin-2-ylthiourea?
1,3-dipyridin-2-ylthiourea has a molecular weight of 230.30 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dipyridin-2-ylthiourea is sourced from PubChem (CID 702572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).