6-[(1-methylpyrazol-4-yl)amino]pyridine-2-carbothioamide

C10H11N5S — CID 64588633

IUPAC6-[(1-methylpyrazol-4-yl)amino]pyridine-2-carbothioamide
SMILESCn1cc(Nc2cccc(C(N)=S)n2)cn1
InChIInChI=1S/C10H11N5S/c1-15-6-7(5-12-15)13-9-4-2-3-8(14-9)10(11)16/h2-6H,1H3,(H2,11,16)(H,13,14)
InChIKeyYHXYZAJAKOYABW-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.19
Rot. Bonds3

About 6-[(1-methylpyrazol-4-yl)amino]pyridine-2-carbothioamide

6-[(1-methylpyrazol-4-yl)amino]pyridine-2-carbothioamide (PubChem CID 64588633) has the molecular formula C10H11N5S and a molecular weight of 233.30 g/mol. Its IUPAC name is 6-[(1-methylpyrazol-4-yl)amino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-[(1-methylpyrazol-4-yl)amino]pyridine-2-carbothioamide
PubChem CID64588633
Molecular FormulaC10H11N5S
Molecular Weight233.30 g/mol
Exact Mass233.07
IUPAC Name6-[(1-methylpyrazol-4-yl)amino]pyridine-2-carbothioamide
SMILESCn1cc(Nc2cccc(C(N)=S)n2)cn1
InChIInChI=1S/C10H11N5S/c1-15-6-7(5-12-15)13-9-4-2-3-8(14-9)10(11)16/h2-6H,1H3,(H2,11,16)(H,13,14)
InChIKeyYHXYZAJAKOYABW-UHFFFAOYSA-N
XLogP1.19
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 6-[(1-methylpyrazol-4-yl)amino]pyridine-2-carbothioamide?
The IUPAC name of 6-[(1-methylpyrazol-4-yl)amino]pyridine-2-carbothioamide (CID 64588633) is 6-[(1-methylpyrazol-4-yl)amino]pyridine-2-carbothioamide.
What is the SMILES notation for 6-[(1-methylpyrazol-4-yl)amino]pyridine-2-carbothioamide?
The canonical SMILES for 6-[(1-methylpyrazol-4-yl)amino]pyridine-2-carbothioamide is Cn1cc(Nc2cccc(C(N)=S)n2)cn1.
What is the InChIKey of 6-[(1-methylpyrazol-4-yl)amino]pyridine-2-carbothioamide?
The InChIKey is YHXYZAJAKOYABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5S/c1-15-6-7(5-12-15)13-9-4-2-3-8(14-9)10(11)16/h2-6H,1H3,(H2,11,16)(H,13,14).
What are the key properties of 6-[(1-methylpyrazol-4-yl)amino]pyridine-2-carbothioamide?
6-[(1-methylpyrazol-4-yl)amino]pyridine-2-carbothioamide has a molecular weight of 233.30 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylpyrazol-4-yl)amino]pyridine-2-carbothioamide is sourced from PubChem (CID 64588633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).