N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloro-2-hydroxybenzamide

C11H9ClN4O2S — CID 79503598

IUPACN-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloro-2-hydroxybenzamide
SMILESNC(=S)c1cn[nH]c1NC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C11H9ClN4O2S/c12-5-1-2-8(17)6(3-5)11(18)15-10-7(9(13)19)4-14-16-10/h1-4,17H,(H2,13,19)(H2,14,15,16,18)
InChIKeyCCTCNZDZBNFBHL-UHFFFAOYSA-N
MW296.74 g/mol
LogP1.66
Rot. Bonds3

About N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloro-2-hydroxybenzamide

N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloro-2-hydroxybenzamide (PubChem CID 79503598) has the molecular formula C11H9ClN4O2S and a molecular weight of 296.74 g/mol. Its IUPAC name is N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloro-2-hydroxybenzamide
PubChem CID79503598
Molecular FormulaC11H9ClN4O2S
Molecular Weight296.74 g/mol
Exact Mass296.01
IUPAC NameN-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloro-2-hydroxybenzamide
SMILESNC(=S)c1cn[nH]c1NC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C11H9ClN4O2S/c12-5-1-2-8(17)6(3-5)11(18)15-10-7(9(13)19)4-14-16-10/h1-4,17H,(H2,13,19)(H2,14,15,16,18)
InChIKeyCCTCNZDZBNFBHL-UHFFFAOYSA-N
XLogP1.66
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.74
LogP ≤ 51.66
H-Bond Donors ≤ 54
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-chloro-2-hydroxybenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloropyridine-2-carboxamide
CID 79503975
N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-chloro-4-methylbenzamide
CID 106861315
N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-hydroxybenzamide
CID 79503125
5-chloro-2-hydroxybenzenecarbothioamide
CID 135760562
N-(4-carbamothioyl-1H-pyrazol-5-yl)-1H-pyrazole-5-carboxamide
CID 79503790
N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide
CID 79503318
N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-fluorobenzamide
CID 79504447
2,5-dichloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691317
N-(4-amino-1H-pyrazol-5-yl)-5-chloro-2-iodobenzamide
CID 114030278
5-chloro-N-(2-chloropyrimidin-5-yl)-2-hydroxybenzamide
CID 121352747
N-(4-carbamothioyl-1H-pyrazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 114040825
N-(4-carbamothioyl-1H-pyrazol-5-yl)quinoline-5-carboxamide
CID 79497381

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloro-2-hydroxybenzamide?
The IUPAC name of N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloro-2-hydroxybenzamide (CID 79503598) is N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloro-2-hydroxybenzamide?
The canonical SMILES for N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloro-2-hydroxybenzamide is NC(=S)c1cn[nH]c1NC(=O)c1cc(Cl)ccc1O.
What is the InChIKey of N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloro-2-hydroxybenzamide?
The InChIKey is CCTCNZDZBNFBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2S/c12-5-1-2-8(17)6(3-5)11(18)15-10-7(9(13)19)4-14-16-10/h1-4,17H,(H2,13,19)(H2,14,15,16,18).
What are the key properties of N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloro-2-hydroxybenzamide?
N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-chloro-2-hydroxybenzamide has a molecular weight of 296.74 g/mol, XLogP of 1.66, 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)-5-chloro-2-hydroxybenzamide is sourced from PubChem (CID 79503598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).