6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbothioamide

C10H10N4OS — CID 81342313

IUPAC6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbothioamide
SMILESCc1cc(Oc2cccc(C(N)=S)n2)n[nH]1
InChIInChI=1S/C10H10N4OS/c1-6-5-9(14-13-6)15-8-4-2-3-7(12-8)10(11)16/h2-5H,1H3,(H2,11,16)(H,13,14)
InChIKeyUKKBCNHNDQREII-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.54
Rot. Bonds3

About 6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbothioamide

6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbothioamide (PubChem CID 81342313) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is 6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbothioamide
PubChem CID81342313
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC Name6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbothioamide
SMILESCc1cc(Oc2cccc(C(N)=S)n2)n[nH]1
InChIInChI=1S/C10H10N4OS/c1-6-5-9(14-13-6)15-8-4-2-3-7(12-8)10(11)16/h2-5H,1H3,(H2,11,16)(H,13,14)
InChIKeyUKKBCNHNDQREII-UHFFFAOYSA-N
XLogP1.54
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbothioamide?
The IUPAC name of 6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbothioamide (CID 81342313) is 6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbothioamide.
What is the SMILES notation for 6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbothioamide?
The canonical SMILES for 6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbothioamide is Cc1cc(Oc2cccc(C(N)=S)n2)n[nH]1.
What is the InChIKey of 6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbothioamide?
The InChIKey is UKKBCNHNDQREII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS/c1-6-5-9(14-13-6)15-8-4-2-3-7(12-8)10(11)16/h2-5H,1H3,(H2,11,16)(H,13,14).
What are the key properties of 6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbothioamide?
6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbothioamide has a molecular weight of 234.28 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbothioamide is sourced from PubChem (CID 81342313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).