1-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea

C14H19Cl2N4OS+ — CID 7934130

IUPAC1-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
SMILESS=C(NCC[NH+]1CCOCC1)N/N=C\c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N4OS/c15-12-2-1-11(13(16)9-12)10-18-19-14(22)17-3-4-20-5-7-21-8-6-20/h1-2,9-10H,3-8H2,(H2,17,19,22)/p+1/b18-10-
InChIKeyUUUCUEBEPNPBSP-ZDLGFXPLSA-O
MW362.31 g/mol
LogP0.71
Rot. Bonds5

About 1-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea

1-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea (PubChem CID 7934130) has the molecular formula C14H19Cl2N4OS+ and a molecular weight of 362.31 g/mol. Its IUPAC name is 1-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea.

Molecular Properties

Compound Name1-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
PubChem CID7934130
Molecular FormulaC14H19Cl2N4OS+
Molecular Weight362.31 g/mol
Exact Mass361.07
IUPAC Name1-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
SMILESS=C(NCC[NH+]1CCOCC1)N/N=C\c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N4OS/c15-12-2-1-11(13(16)9-12)10-18-19-14(22)17-3-4-20-5-7-21-8-6-20/h1-2,9-10H,3-8H2,(H2,17,19,22)/p+1/b18-10-
InChIKeyUUUCUEBEPNPBSP-ZDLGFXPLSA-O
XLogP0.71
TPSA50.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea 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-[(2,4-dichlorophenyl)methylideneamino]-3-morpholin-4-ium-4-ylpropanamide
CID 4744533
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide
CID 7452279
1-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 8002045
1-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 135852452
1-[(Z)-(4-bromophenyl)methylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 7934124
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-[(Z)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 7934096
1-(4-chloro-2-fluorophenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 4068765
1-[(2,4-dichlorophenyl)methyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
CID 8669408
1-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 9392607
1-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 135849463
2-(2,4-dichlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 2634680

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea?
The IUPAC name of 1-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea (CID 7934130) is 1-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea.
What is the SMILES notation for 1-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea?
The canonical SMILES for 1-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea is S=C(NCC[NH+]1CCOCC1)N/N=C\c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea?
The InChIKey is UUUCUEBEPNPBSP-ZDLGFXPLSA-O. The full InChI is InChI=1S/C14H18Cl2N4OS/c15-12-2-1-11(13(16)9-12)10-18-19-14(22)17-3-4-20-5-7-21-8-6-20/h1-2,9-10H,3-8H2,(H2,17,19,22)/p+1/b18-10-.
What are the key properties of 1-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea?
1-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea has a molecular weight of 362.31 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea is sourced from PubChem (CID 7934130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).