1-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-(3-methoxyphenyl)thiourea

C16H17N3O2S — CID 135983097

IUPAC1-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-(3-methoxyphenyl)thiourea
SMILESCOc1cccc(NC(=S)N/N=C(\C)c2ccccc2O)c1
InChIInChI=1S/C16H17N3O2S/c1-11(14-8-3-4-9-15(14)20)18-19-16(22)17-12-6-5-7-13(10-12)21-2/h3-10,20H,1-2H3,(H2,17,19,22)/b18-11+
InChIKeyVJSDMWJIZQOLTE-WOJGMQOQSA-N
MW315.40 g/mol
LogP3.11
Rot. Bonds4

About 1-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-(3-methoxyphenyl)thiourea

1-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-(3-methoxyphenyl)thiourea (PubChem CID 135983097) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 1-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-(3-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-(3-methoxyphenyl)thiourea
PubChem CID135983097
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name1-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-(3-methoxyphenyl)thiourea
SMILESCOc1cccc(NC(=S)N/N=C(\C)c2ccccc2O)c1
InChIInChI=1S/C16H17N3O2S/c1-11(14-8-3-4-9-15(14)20)18-19-16(22)17-12-6-5-7-13(10-12)21-2/h3-10,20H,1-2H3,(H2,17,19,22)/b18-11+
InChIKeyVJSDMWJIZQOLTE-WOJGMQOQSA-N
XLogP3.11
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-(3-methoxyphenyl)-3-[(E)-1-(4-phenylphenyl)ethylideneamino]thiourea
CID 22829855
1-[(E)-1-(3-bromophenyl)ethylideneamino]-3-(3-methoxyphenyl)thiourea
CID 18283865
1-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-(3-methoxyphenyl)thiourea
CID 7966014
1-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]-3-(3-methoxyphenyl)thiourea
CID 9256403
1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(3-methoxyphenyl)thiourea
CID 135763557
1-(3,4-dimethoxyphenyl)-3-[(Z)-1-(2-methoxyphenyl)ethylideneamino]thiourea
CID 9216367
1-[(E)-1-(2-aminophenyl)ethylideneamino]-3-(4-methoxyphenyl)thiourea
CID 162665226
1-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-3-methylthiourea
CID 3005303
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)thiourea
CID 976451
1-[(2,4-dihydroxyphenyl)methylideneamino]-3-(3-methoxyphenyl)thiourea
CID 2367884
1-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3-methoxyphenyl)thiourea
CID 136773530
1-ethyl-3-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]thiourea
CID 135751899

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-(3-methoxyphenyl)thiourea?
The IUPAC name of 1-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-(3-methoxyphenyl)thiourea (CID 135983097) is 1-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-(3-methoxyphenyl)thiourea.
What is the SMILES notation for 1-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-(3-methoxyphenyl)thiourea?
The canonical SMILES for 1-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-(3-methoxyphenyl)thiourea is COc1cccc(NC(=S)N/N=C(\C)c2ccccc2O)c1.
What is the InChIKey of 1-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-(3-methoxyphenyl)thiourea?
The InChIKey is VJSDMWJIZQOLTE-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-11(14-8-3-4-9-15(14)20)18-19-16(22)17-12-6-5-7-13(10-12)21-2/h3-10,20H,1-2H3,(H2,17,19,22)/b18-11+.
What are the key properties of 1-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-(3-methoxyphenyl)thiourea?
1-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-(3-methoxyphenyl)thiourea has a molecular weight of 315.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-(3-methoxyphenyl)thiourea is sourced from PubChem (CID 135983097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).