1-(2,5-dichlorophenyl)-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]thiourea

C15H13Cl2N3OS — CID 135443528

IUPAC1-(2,5-dichlorophenyl)-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]thiourea
SMILESC/C(=N\NC(=S)Nc1cc(Cl)ccc1Cl)c1ccc(O)cc1
InChIInChI=1S/C15H13Cl2N3OS/c1-9(10-2-5-12(21)6-3-10)19-20-15(22)18-14-8-11(16)4-7-13(14)17/h2-8,21H,1H3,(H2,18,20,22)/b19-9+
InChIKeyLUGKDSSBQLGRHK-DJKKODMXSA-N
MW354.26 g/mol
LogP4.41
Rot. Bonds3

About 1-(2,5-dichlorophenyl)-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]thiourea

1-(2,5-dichlorophenyl)-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]thiourea (PubChem CID 135443528) has the molecular formula C15H13Cl2N3OS and a molecular weight of 354.26 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]thiourea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]thiourea
PubChem CID135443528
Molecular FormulaC15H13Cl2N3OS
Molecular Weight354.26 g/mol
Exact Mass353.02
IUPAC Name1-(2,5-dichlorophenyl)-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]thiourea
SMILESC/C(=N\NC(=S)Nc1cc(Cl)ccc1Cl)c1ccc(O)cc1
InChIInChI=1S/C15H13Cl2N3OS/c1-9(10-2-5-12(21)6-3-10)19-20-15(22)18-14-8-11(16)4-7-13(14)17/h2-8,21H,1H3,(H2,18,20,22)/b19-9+
InChIKeyLUGKDSSBQLGRHK-DJKKODMXSA-N
XLogP4.41
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.26
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-(2,4-dichlorophenyl)-3-[(E)-1-naphthalen-2-ylethylideneamino]thiourea
CID 7407265
1-[1-(4-chlorophenyl)ethylideneamino]-3-(2,3-dimethylphenyl)thiourea
CID 3274900
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(Z)-1-(4-cyanophenyl)ethylideneamino]thiourea
CID 6038260
1-[(Z)-1-(4-chlorophenyl)ethylideneamino]-3-(4-propan-2-ylphenyl)thiourea
CID 7965673
1-[1-(3,4-dichlorophenyl)ethylideneamino]-3-(2-methoxyphenyl)thiourea
CID 3441173
1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2,5-dichlorophenyl)thiourea
CID 6270607
1-[(E)-1-(3-aminophenyl)ethylideneamino]-3-[2-chloro-5-(trifluoromethyl)phenyl]thiourea
CID 18290324
N-(2,5-dichlorophenyl)-N'-[1-(3,4-dimethoxyphenyl)ethylideneamino]oxamide
CID 4097302
1-[1-(4-cyanophenyl)ethylideneamino]-3-(3,4-dichlorophenyl)thiourea
CID 3422208
1-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea
CID 7933632
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-hydroxybenzamide
CID 4051552
[4-[N-[[2-(2,5-dichloroanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] 2-chlorobenzoate
CID 5105772

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]thiourea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]thiourea (CID 135443528) is 1-(2,5-dichlorophenyl)-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]thiourea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]thiourea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]thiourea is C/C(=N\NC(=S)Nc1cc(Cl)ccc1Cl)c1ccc(O)cc1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]thiourea?
The InChIKey is LUGKDSSBQLGRHK-DJKKODMXSA-N. The full InChI is InChI=1S/C15H13Cl2N3OS/c1-9(10-2-5-12(21)6-3-10)19-20-15(22)18-14-8-11(16)4-7-13(14)17/h2-8,21H,1H3,(H2,18,20,22)/b19-9+.
What are the key properties of 1-(2,5-dichlorophenyl)-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]thiourea?
1-(2,5-dichlorophenyl)-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]thiourea has a molecular weight of 354.26 g/mol, XLogP of 4.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]thiourea is sourced from PubChem (CID 135443528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).