N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloropyridine-2-carboxamide

C10H8ClN5OS — CID 79503975

IUPACN-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloropyridine-2-carboxamide
SMILESNC(=S)c1cn[nH]c1NC(=O)c1ccc(Cl)cn1
InChIInChI=1S/C10H8ClN5OS/c11-5-1-2-7(13-3-5)10(17)15-9-6(8(12)18)4-14-16-9/h1-4H,(H2,12,18)(H2,14,15,16,17)
InChIKeySALYPWZNZVTARJ-UHFFFAOYSA-N
MW281.73 g/mol
LogP1.34
Rot. Bonds3

About N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloropyridine-2-carboxamide

N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloropyridine-2-carboxamide (PubChem CID 79503975) has the molecular formula C10H8ClN5OS and a molecular weight of 281.73 g/mol. Its IUPAC name is N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloropyridine-2-carboxamide
PubChem CID79503975
Molecular FormulaC10H8ClN5OS
Molecular Weight281.73 g/mol
Exact Mass281.01
IUPAC NameN-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloropyridine-2-carboxamide
SMILESNC(=S)c1cn[nH]c1NC(=O)c1ccc(Cl)cn1
InChIInChI=1S/C10H8ClN5OS/c11-5-1-2-7(13-3-5)10(17)15-9-6(8(12)18)4-14-16-9/h1-4H,(H2,12,18)(H2,14,15,16,17)
InChIKeySALYPWZNZVTARJ-UHFFFAOYSA-N
XLogP1.34
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloropyridine-2-carboxamide 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 N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloropyridine-2-carboxamide?
The IUPAC name of N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloropyridine-2-carboxamide (CID 79503975) is N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloropyridine-2-carboxamide.
What is the SMILES notation for N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloropyridine-2-carboxamide?
The canonical SMILES for N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloropyridine-2-carboxamide is NC(=S)c1cn[nH]c1NC(=O)c1ccc(Cl)cn1.
What is the InChIKey of N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloropyridine-2-carboxamide?
The InChIKey is SALYPWZNZVTARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5OS/c11-5-1-2-7(13-3-5)10(17)15-9-6(8(12)18)4-14-16-9/h1-4H,(H2,12,18)(H2,14,15,16,17).
What are the key properties of N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloropyridine-2-carboxamide?
N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloropyridine-2-carboxamide has a molecular weight of 281.73 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloropyridine-2-carboxamide is sourced from PubChem (CID 79503975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).