1-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea

C15H20Cl2N4OS — CID 9411374

IUPAC1-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
SMILESS=C(NCCCN1CCOCC1)N/N=C\c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H20Cl2N4OS/c16-13-3-2-12(10-14(13)17)11-19-20-15(23)18-4-1-5-21-6-8-22-9-7-21/h2-3,10-11H,1,4-9H2,(H2,18,20,23)/b19-11-
InChIKeyGLVYATSDNZJTQV-ODLFYWEKSA-N
MW375.33 g/mol
LogP2.51
Rot. Bonds6

About 1-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea

1-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea (PubChem CID 9411374) has the molecular formula C15H20Cl2N4OS and a molecular weight of 375.33 g/mol. Its IUPAC name is 1-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea.

Molecular Properties

Compound Name1-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
PubChem CID9411374
Molecular FormulaC15H20Cl2N4OS
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC Name1-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
SMILESS=C(NCCCN1CCOCC1)N/N=C\c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H20Cl2N4OS/c16-13-3-2-12(10-14(13)17)11-19-20-15(23)18-4-1-5-21-6-8-22-9-7-21/h2-3,10-11H,1,4-9H2,(H2,18,20,23)/b19-11-
InChIKeyGLVYATSDNZJTQV-ODLFYWEKSA-N
XLogP2.51
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9411675
1-[(E)-(3-chloro-4-propoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 110508469
1-(3-morpholin-4-ylpropyl)-3-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]thiourea
CID 9411247
1-[(Z)-(2,6-difluorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9411568
1-[(E)-(4-fluorophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 6902586
1-[(4-fluorophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 2364737
[2-methoxy-4-[(Z)-(3-morpholin-4-ylpropylcarbamothioylhydrazinylidene)methyl]phenyl] cyclopropanecarboxylate
CID 9411660
1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 135731420
1-(3-morpholin-4-ylpropyl)-3-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]thiourea
CID 9411411
1-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-[3-[4-[3-[[(Z)-(2,4-dichlorophenyl)methylideneamino]carbamothioylamino]propyl]piperazin-1-yl]propyl]thiourea
CID 54606078
1-[(3,4-dichlorophenyl)methylideneamino]-3-ethylthiourea
CID 2423820
1-[(E)-(3,4-dichlorophenyl)methylideneamino]-3-ethylthiourea
CID 6905153

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea?
The IUPAC name of 1-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea (CID 9411374) is 1-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea.
What is the SMILES notation for 1-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea?
The canonical SMILES for 1-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea is S=C(NCCCN1CCOCC1)N/N=C\c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea?
The InChIKey is GLVYATSDNZJTQV-ODLFYWEKSA-N. The full InChI is InChI=1S/C15H20Cl2N4OS/c16-13-3-2-12(10-14(13)17)11-19-20-15(23)18-4-1-5-21-6-8-22-9-7-21/h2-3,10-11H,1,4-9H2,(H2,18,20,23)/b19-11-.
What are the key properties of 1-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea?
1-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea has a molecular weight of 375.33 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea is sourced from PubChem (CID 9411374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).