1-(2,4-dichlorophenyl)-3-(3-morpholin-4-ylpropyl)thiourea

C14H19Cl2N3OS — CID 2257876

IUPAC1-(2,4-dichlorophenyl)-3-(3-morpholin-4-ylpropyl)thiourea
SMILESS=C(NCCCN1CCOCC1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2N3OS/c15-11-2-3-13(12(16)10-11)18-14(21)17-4-1-5-19-6-8-20-9-7-19/h2-3,10H,1,4-9H2,(H2,17,18,21)
InChIKeyCXVFYUJJBKRNNI-UHFFFAOYSA-N
MW348.30 g/mol
LogP3.00
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-3-(3-morpholin-4-ylpropyl)thiourea

1-(2,4-dichlorophenyl)-3-(3-morpholin-4-ylpropyl)thiourea (PubChem CID 2257876) has the molecular formula C14H19Cl2N3OS and a molecular weight of 348.30 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(3-morpholin-4-ylpropyl)thiourea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(3-morpholin-4-ylpropyl)thiourea
PubChem CID2257876
Molecular FormulaC14H19Cl2N3OS
Molecular Weight348.30 g/mol
Exact Mass347.06
IUPAC Name1-(2,4-dichlorophenyl)-3-(3-morpholin-4-ylpropyl)thiourea
SMILESS=C(NCCCN1CCOCC1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2N3OS/c15-11-2-3-13(12(16)10-11)18-14(21)17-4-1-5-19-6-8-20-9-7-19/h2-3,10H,1,4-9H2,(H2,17,18,21)
InChIKeyCXVFYUJJBKRNNI-UHFFFAOYSA-N
XLogP3.00
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)morpholine-4-carboxamide
CID 759971
Urea, 1-(p-chlorophenyl)-3-(3-morpholinopropyl)-
CID 1809198
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-(3-chlorophenyl)morpholine-4-carbothioamide
CID 876893
N-(3,4-dichlorophenyl)-N'-[2-(4-morpholinyl)ethyl]thiourea
CID 878979
N-(4-chlorophenyl)-N'-[2-(4-morpholinyl)ethyl]urea
CID 873825
1-Cyclohexyl-3-(2,4-dichlorophenyl)thiourea
CID 886589
1-(2,4-Dichlorophenyl)-3-propylthiourea
CID 2281624

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(3-morpholin-4-ylpropyl)thiourea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(3-morpholin-4-ylpropyl)thiourea (CID 2257876) is 1-(2,4-dichlorophenyl)-3-(3-morpholin-4-ylpropyl)thiourea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(3-morpholin-4-ylpropyl)thiourea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(3-morpholin-4-ylpropyl)thiourea is S=C(NCCCN1CCOCC1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(3-morpholin-4-ylpropyl)thiourea?
The InChIKey is CXVFYUJJBKRNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3OS/c15-11-2-3-13(12(16)10-11)18-14(21)17-4-1-5-19-6-8-20-9-7-19/h2-3,10H,1,4-9H2,(H2,17,18,21).
What are the key properties of 1-(2,4-dichlorophenyl)-3-(3-morpholin-4-ylpropyl)thiourea?
1-(2,4-dichlorophenyl)-3-(3-morpholin-4-ylpropyl)thiourea has a molecular weight of 348.30 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(3-morpholin-4-ylpropyl)thiourea is sourced from PubChem (CID 2257876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).