1-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-3-(3-trimethylsilylpropyl)thiourea

C15H23Cl2N3SSi — CID 177402804

IUPAC1-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-3-(3-trimethylsilylpropyl)thiourea
SMILESC/C(=N\NC(=S)NCCC[Si](C)(C)C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H23Cl2N3SSi/c1-11(12-6-7-13(16)14(17)10-12)19-20-15(21)18-8-5-9-22(2,3)4/h6-7,10H,5,8-9H2,1-4H3,(H2,18,20,21)/b19-11+
InChIKeyGTJJXJYVALVXNK-YBFXNURJSA-N
MW376.43 g/mol
LogP4.91
Rot. Bonds6

About 1-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-3-(3-trimethylsilylpropyl)thiourea

1-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-3-(3-trimethylsilylpropyl)thiourea (PubChem CID 177402804) has the molecular formula C15H23Cl2N3SSi and a molecular weight of 376.43 g/mol. Its IUPAC name is 1-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-3-(3-trimethylsilylpropyl)thiourea.

Molecular Properties

Compound Name1-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-3-(3-trimethylsilylpropyl)thiourea
PubChem CID177402804
Molecular FormulaC15H23Cl2N3SSi
Molecular Weight376.43 g/mol
Exact Mass375.08
IUPAC Name1-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-3-(3-trimethylsilylpropyl)thiourea
SMILESC/C(=N\NC(=S)NCCC[Si](C)(C)C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H23Cl2N3SSi/c1-11(12-6-7-13(16)14(17)10-12)19-20-15(21)18-8-5-9-22(2,3)4/h6-7,10H,5,8-9H2,1-4H3,(H2,18,20,21)/b19-11+
InChIKeyGTJJXJYVALVXNK-YBFXNURJSA-N
XLogP4.91
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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)-1-(3,4-dichlorophenyl)ethylideneamino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9175980
N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]butanediamide
CID 3636545
N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]octanediamide
CID 3439287
1-butyl-3-[1-(4-fluorophenyl)ethylideneamino]thiourea
CID 3253568
[(E)-1-(3,4-dichlorophenyl)ethylideneamino]urea
CID 5495611
1-[1-(3,4-dichlorophenyl)ethylideneamino]-3-(2-methoxyphenyl)thiourea
CID 3441173
1-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9411591
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]dodecanamide
CID 6059481
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylacetamide
CID 5410906
1-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9257800
N-(4-acetamidobutyl)-3,4-dichlorobenzamide
CID 110358538
1-(1-phenylethylideneamino)-3-[4-[(1-pyridin-2-ylethylideneamino)carbamothioylamino]butyl]thiourea
CID 3005018

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-3-(3-trimethylsilylpropyl)thiourea?
The IUPAC name of 1-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-3-(3-trimethylsilylpropyl)thiourea (CID 177402804) is 1-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-3-(3-trimethylsilylpropyl)thiourea.
What is the SMILES notation for 1-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-3-(3-trimethylsilylpropyl)thiourea?
The canonical SMILES for 1-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-3-(3-trimethylsilylpropyl)thiourea is C/C(=N\NC(=S)NCCC[Si](C)(C)C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-3-(3-trimethylsilylpropyl)thiourea?
The InChIKey is GTJJXJYVALVXNK-YBFXNURJSA-N. The full InChI is InChI=1S/C15H23Cl2N3SSi/c1-11(12-6-7-13(16)14(17)10-12)19-20-15(21)18-8-5-9-22(2,3)4/h6-7,10H,5,8-9H2,1-4H3,(H2,18,20,21)/b19-11+.
What are the key properties of 1-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-3-(3-trimethylsilylpropyl)thiourea?
1-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-3-(3-trimethylsilylpropyl)thiourea has a molecular weight of 376.43 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-3-(3-trimethylsilylpropyl)thiourea is sourced from PubChem (CID 177402804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).