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

C19H22N4O2S — CID 6903408

IUPAC1-(2-methoxyphenyl)-3-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea
SMILESCOc1ccccc1NC(=S)N/N=C/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H22N4O2S/c1-24-18-5-3-2-4-17(18)21-19(26)22-20-14-15-6-8-16(9-7-15)23-10-12-25-13-11-23/h2-9,14H,10-13H2,1H3,(H2,21,22,26)/b20-14+
InChIKeyHXMOUTIJPIIGFT-XSFVSMFZSA-N
MW370.48 g/mol
LogP2.85
Rot. Bonds5

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

1-(2-methoxyphenyl)-3-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea (PubChem CID 6903408) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea
PubChem CID6903408
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name1-(2-methoxyphenyl)-3-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea
SMILESCOc1ccccc1NC(=S)N/N=C/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H22N4O2S/c1-24-18-5-3-2-4-17(18)21-19(26)22-20-14-15-6-8-16(9-7-15)23-10-12-25-13-11-23/h2-9,14H,10-13H2,1H3,(H2,21,22,26)/b20-14+
InChIKeyHXMOUTIJPIIGFT-XSFVSMFZSA-N
XLogP2.85
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-(2-methoxyphenyl)-3-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea (CID 6903408) is 1-(2-methoxyphenyl)-3-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea is COc1ccccc1NC(=S)N/N=C/c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea?
The InChIKey is HXMOUTIJPIIGFT-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-24-18-5-3-2-4-17(18)21-19(26)22-20-14-15-6-8-16(9-7-15)23-10-12-25-13-11-23/h2-9,14H,10-13H2,1H3,(H2,21,22,26)/b20-14+.
What are the key properties of 1-(2-methoxyphenyl)-3-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea?
1-(2-methoxyphenyl)-3-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea has a molecular weight of 370.48 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea is sourced from PubChem (CID 6903408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).