1-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-(2-methylphenyl)thiourea

C16H17N3OS — CID 135519941

IUPAC1-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-(2-methylphenyl)thiourea
SMILESC/C(=N\NC(=S)Nc1ccccc1C)c1ccc(O)cc1
InChIInChI=1S/C16H17N3OS/c1-11-5-3-4-6-15(11)17-16(21)19-18-12(2)13-7-9-14(20)10-8-13/h3-10,20H,1-2H3,(H2,17,19,21)/b18-12+
InChIKeyFACZGFTXGNKUGH-LDADJPATSA-N
MW299.40 g/mol
LogP3.41
Rot. Bonds3

About 1-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-(2-methylphenyl)thiourea

1-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-(2-methylphenyl)thiourea (PubChem CID 135519941) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-(2-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-(2-methylphenyl)thiourea
PubChem CID135519941
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name1-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-(2-methylphenyl)thiourea
SMILESC/C(=N\NC(=S)Nc1ccccc1C)c1ccc(O)cc1
InChIInChI=1S/C16H17N3OS/c1-11-5-3-4-6-15(11)17-16(21)19-18-12(2)13-7-9-14(20)10-8-13/h3-10,20H,1-2H3,(H2,17,19,21)/b18-12+
InChIKeyFACZGFTXGNKUGH-LDADJPATSA-N
XLogP3.41
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.41
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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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-(2-methylphenyl)thiourea?
The IUPAC name of 1-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-(2-methylphenyl)thiourea (CID 135519941) is 1-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-(2-methylphenyl)thiourea.
What is the SMILES notation for 1-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-(2-methylphenyl)thiourea?
The canonical SMILES for 1-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-(2-methylphenyl)thiourea is C/C(=N\NC(=S)Nc1ccccc1C)c1ccc(O)cc1.
What is the InChIKey of 1-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-(2-methylphenyl)thiourea?
The InChIKey is FACZGFTXGNKUGH-LDADJPATSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-11-5-3-4-6-15(11)17-16(21)19-18-12(2)13-7-9-14(20)10-8-13/h3-10,20H,1-2H3,(H2,17,19,21)/b18-12+.
What are the key properties of 1-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-(2-methylphenyl)thiourea?
1-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-(2-methylphenyl)thiourea has a molecular weight of 299.40 g/mol, XLogP of 3.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-(2-methylphenyl)thiourea is sourced from PubChem (CID 135519941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).