N-(2-carbamothioyl-5-chlorophenyl)pyridazine-4-carboxamide

C12H9ClN4OS — CID 104670500

IUPACN-(2-carbamothioyl-5-chlorophenyl)pyridazine-4-carboxamide
SMILESNC(=S)c1ccc(Cl)cc1NC(=O)c1ccnnc1
InChIInChI=1S/C12H9ClN4OS/c13-8-1-2-9(11(14)19)10(5-8)17-12(18)7-3-4-15-16-6-7/h1-6H,(H2,14,19)(H,17,18)
InChIKeySRTOIYBBCBEEJT-UHFFFAOYSA-N
MW292.75 g/mol
LogP2.02
Rot. Bonds3

About N-(2-carbamothioyl-5-chlorophenyl)pyridazine-4-carboxamide

N-(2-carbamothioyl-5-chlorophenyl)pyridazine-4-carboxamide (PubChem CID 104670500) has the molecular formula C12H9ClN4OS and a molecular weight of 292.75 g/mol. Its IUPAC name is N-(2-carbamothioyl-5-chlorophenyl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-5-chlorophenyl)pyridazine-4-carboxamide
PubChem CID104670500
Molecular FormulaC12H9ClN4OS
Molecular Weight292.75 g/mol
Exact Mass292.02
IUPAC NameN-(2-carbamothioyl-5-chlorophenyl)pyridazine-4-carboxamide
SMILESNC(=S)c1ccc(Cl)cc1NC(=O)c1ccnnc1
InChIInChI=1S/C12H9ClN4OS/c13-8-1-2-9(11(14)19)10(5-8)17-12(18)7-3-4-15-16-6-7/h1-6H,(H2,14,19)(H,17,18)
InChIKeySRTOIYBBCBEEJT-UHFFFAOYSA-N
XLogP2.02
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-carbamothioyl-4-fluorophenyl)pyridazine-4-carboxamide
CID 104670517
N-(2-carbamothioyl-5-chlorophenyl)-4-ethylbenzamide
CID 64916815
3-bromo-N-(2-carbamothioyl-5-chlorophenyl)-5-methylbenzamide
CID 104851591
N-(2-carbamothioyl-5-chlorophenyl)-3-methylimidazole-4-carboxamide
CID 103511023
N-(2-carbamothioyl-5-chlorophenyl)cyclopropanecarboxamide
CID 64916810
N-(2-carbamothioyl-5-chlorophenyl)-5-chlorofuran-2-carboxamide
CID 106684980
N-(2-carbamothioyl-5-chlorophenyl)-2-methylfuran-3-carboxamide
CID 64915208
1-(2-carbamothioyl-5-chlorophenyl)-3-cyclopropylurea
CID 64920032
N-(2-carbamothioyl-5-chlorophenyl)-3-methylfuran-2-carboxamide
CID 64917019
N-(2-carbamothioyl-5-chlorophenyl)piperidine-1-carboxamide
CID 79156263
4-chloro-2-(pyridine-3-carbonylamino)benzoic acid
CID 16772480
2-bromo-N-(2-carbamothioyl-5-chlorophenyl)-5-methylbenzamide
CID 81110952

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-5-chlorophenyl)pyridazine-4-carboxamide?
The IUPAC name of N-(2-carbamothioyl-5-chlorophenyl)pyridazine-4-carboxamide (CID 104670500) is N-(2-carbamothioyl-5-chlorophenyl)pyridazine-4-carboxamide.
What is the SMILES notation for N-(2-carbamothioyl-5-chlorophenyl)pyridazine-4-carboxamide?
The canonical SMILES for N-(2-carbamothioyl-5-chlorophenyl)pyridazine-4-carboxamide is NC(=S)c1ccc(Cl)cc1NC(=O)c1ccnnc1.
What is the InChIKey of N-(2-carbamothioyl-5-chlorophenyl)pyridazine-4-carboxamide?
The InChIKey is SRTOIYBBCBEEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4OS/c13-8-1-2-9(11(14)19)10(5-8)17-12(18)7-3-4-15-16-6-7/h1-6H,(H2,14,19)(H,17,18).
What are the key properties of N-(2-carbamothioyl-5-chlorophenyl)pyridazine-4-carboxamide?
N-(2-carbamothioyl-5-chlorophenyl)pyridazine-4-carboxamide has a molecular weight of 292.75 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioyl-5-chlorophenyl)pyridazine-4-carboxamide is sourced from PubChem (CID 104670500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).