N-(2,4-dichlorophenyl)morpholine-4-carbothioamide

C11H12Cl2N2OS — CID 883579

IUPACN-(2,4-dichlorophenyl)morpholine-4-carbothioamide
SMILESS=C(Nc1ccc(Cl)cc1Cl)N1CCOCC1
InChIInChI=1S/C11H12Cl2N2OS/c12-8-1-2-10(9(13)7-8)14-11(17)15-3-5-16-6-4-15/h1-2,7H,3-6H2,(H,14,17)
InChIKeyZRIZBQTZCZJAAX-UHFFFAOYSA-N
MW291.20 g/mol
LogP3.02
Rot. Bonds1

About N-(2,4-dichlorophenyl)morpholine-4-carbothioamide

N-(2,4-dichlorophenyl)morpholine-4-carbothioamide (PubChem CID 883579) has the molecular formula C11H12Cl2N2OS and a molecular weight of 291.20 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)morpholine-4-carbothioamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)morpholine-4-carbothioamide
PubChem CID883579
Molecular FormulaC11H12Cl2N2OS
Molecular Weight291.20 g/mol
Exact Mass290.00
IUPAC NameN-(2,4-dichlorophenyl)morpholine-4-carbothioamide
SMILESS=C(Nc1ccc(Cl)cc1Cl)N1CCOCC1
InChIInChI=1S/C11H12Cl2N2OS/c12-8-1-2-10(9(13)7-8)14-11(17)15-3-5-16-6-4-15/h1-2,7H,3-6H2,(H,14,17)
InChIKeyZRIZBQTZCZJAAX-UHFFFAOYSA-N
XLogP3.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,4-dichlorophenyl)morpholine-4-carbothioamide 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-chlorophenyl)morpholine-4-carboxamide
CID 759971
Urea, 1-(p-chlorophenyl)-3-(3-morpholinopropyl)-
CID 1809198
N-phenylmorpholine-4-carbothioamide
CID 668271
N-(4-chlorophenyl)-N'-[2-(4-morpholinyl)ethyl]thiourea
CID 841905
N-(2,4-dichlorophenyl)-4-methylpiperazine-1-carbothioamide
CID 881854
N-(4-chloro-2-fluorophenyl)-N'-[2-(4-morpholinyl)ethyl]thiourea
CID 714364
1-(3-Chlorophenyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 1592843
N-(2,4-dichlorophenyl)-2-(hydroxymethyl)piperidine-1-carbothioamide
CID 2958699
N-(2,4-dichlorophenyl)pyrrolidine-1-carbothioamide
CID 19653625
N-(3-chlorophenyl)morpholine-4-carbothioamide
CID 876893
N-(3,4-dichlorophenyl)-N'-[2-(4-morpholinyl)ethyl]thiourea
CID 878979
1-(3,4-Dichlorophenyl)-3-(2-methoxyethyl)thiourea
CID 1760514

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)morpholine-4-carbothioamide?
The IUPAC name of N-(2,4-dichlorophenyl)morpholine-4-carbothioamide (CID 883579) is N-(2,4-dichlorophenyl)morpholine-4-carbothioamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)morpholine-4-carbothioamide?
The canonical SMILES for N-(2,4-dichlorophenyl)morpholine-4-carbothioamide is S=C(Nc1ccc(Cl)cc1Cl)N1CCOCC1.
What is the InChIKey of N-(2,4-dichlorophenyl)morpholine-4-carbothioamide?
The InChIKey is ZRIZBQTZCZJAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2OS/c12-8-1-2-10(9(13)7-8)14-11(17)15-3-5-16-6-4-15/h1-2,7H,3-6H2,(H,14,17).
What are the key properties of N-(2,4-dichlorophenyl)morpholine-4-carbothioamide?
N-(2,4-dichlorophenyl)morpholine-4-carbothioamide has a molecular weight of 291.20 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)morpholine-4-carbothioamide is sourced from PubChem (CID 883579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).