N-(4-carbamothioyl-1H-pyrazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide

C10H9N5O2S — CID 114040825

IUPACN-(4-carbamothioyl-1H-pyrazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide
SMILESNC(=S)c1cn[nH]c1NC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H9N5O2S/c11-8(18)6-4-13-15-9(6)14-10(17)5-1-2-7(16)12-3-5/h1-4H,(H2,11,18)(H,12,16)(H2,13,14,15,17)
InChIKeyYXSIZZVMOCHPER-UHFFFAOYSA-N
MW263.28 g/mol
LogP-0.02
Rot. Bonds3

About N-(4-carbamothioyl-1H-pyrazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide

N-(4-carbamothioyl-1H-pyrazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 114040825) has the molecular formula C10H9N5O2S and a molecular weight of 263.28 g/mol. Its IUPAC name is N-(4-carbamothioyl-1H-pyrazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1H-pyrazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID114040825
Molecular FormulaC10H9N5O2S
Molecular Weight263.28 g/mol
Exact Mass263.05
IUPAC NameN-(4-carbamothioyl-1H-pyrazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide
SMILESNC(=S)c1cn[nH]c1NC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H9N5O2S/c11-8(18)6-4-13-15-9(6)14-10(17)5-1-2-7(16)12-3-5/h1-4H,(H2,11,18)(H,12,16)(H2,13,14,15,17)
InChIKeyYXSIZZVMOCHPER-UHFFFAOYSA-N
XLogP-0.02
TPSA116.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 N-(4-carbamothioyl-1H-pyrazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-carbamothioyl-1H-pyrazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide (CID 114040825) is N-(4-carbamothioyl-1H-pyrazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-carbamothioyl-1H-pyrazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-carbamothioyl-1H-pyrazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide is NC(=S)c1cn[nH]c1NC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(4-carbamothioyl-1H-pyrazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YXSIZZVMOCHPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O2S/c11-8(18)6-4-13-15-9(6)14-10(17)5-1-2-7(16)12-3-5/h1-4H,(H2,11,18)(H,12,16)(H2,13,14,15,17).
What are the key properties of N-(4-carbamothioyl-1H-pyrazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide?
N-(4-carbamothioyl-1H-pyrazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 263.28 g/mol, XLogP of -0.02, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-1H-pyrazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 114040825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).