1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea

C15H15N3O2S — CID 135521627

IUPAC1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
SMILESCOc1ccccc1NC(=S)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C15H15N3O2S/c1-20-14-5-3-2-4-13(14)17-15(21)18-16-10-11-6-8-12(19)9-7-11/h2-10,19H,1H3,(H2,17,18,21)/b16-10+
InChIKeyPLWQDUUWXYBUQS-MHWRWJLKSA-N
MW301.37 g/mol
LogP2.72
Rot. Bonds4

About 1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea

1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea (PubChem CID 135521627) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
PubChem CID135521627
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
SMILESCOc1ccccc1NC(=S)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C15H15N3O2S/c1-20-14-5-3-2-4-13(14)17-15(21)18-16-10-11-6-8-12(19)9-7-11/h2-10,19H,1H3,(H2,17,18,21)/b16-10+
InChIKeyPLWQDUUWXYBUQS-MHWRWJLKSA-N
XLogP2.72
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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)-(4-hydroxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea?
The IUPAC name of 1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea (CID 135521627) is 1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea.
What is the SMILES notation for 1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea?
The canonical SMILES for 1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea is COc1ccccc1NC(=S)N/N=C/c1ccc(O)cc1.
What is the InChIKey of 1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea?
The InChIKey is PLWQDUUWXYBUQS-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-20-14-5-3-2-4-13(14)17-15(21)18-16-10-11-6-8-12(19)9-7-11/h2-10,19H,1H3,(H2,17,18,21)/b16-10+.
What are the key properties of 1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea?
1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea has a molecular weight of 301.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea is sourced from PubChem (CID 135521627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).