1-(furan-2-ylmethyl)-3-[(E)-1-(4-methoxyphenyl)ethylideneamino]thiourea

C15H17N3O2S — CID 6068611

IUPAC1-(furan-2-ylmethyl)-3-[(E)-1-(4-methoxyphenyl)ethylideneamino]thiourea
SMILESCOc1ccc(/C(C)=N/NC(=S)NCc2ccco2)cc1
InChIInChI=1S/C15H17N3O2S/c1-11(12-5-7-13(19-2)8-6-12)17-18-15(21)16-10-14-4-3-9-20-14/h3-9H,10H2,1-2H3,(H2,16,18,21)/b17-11+
InChIKeyYAMVRZQHRYYQSF-GZTJUZNOSA-N
MW303.39 g/mol
LogP2.68
Rot. Bonds5

About 1-(furan-2-ylmethyl)-3-[(E)-1-(4-methoxyphenyl)ethylideneamino]thiourea

1-(furan-2-ylmethyl)-3-[(E)-1-(4-methoxyphenyl)ethylideneamino]thiourea (PubChem CID 6068611) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[(E)-1-(4-methoxyphenyl)ethylideneamino]thiourea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[(E)-1-(4-methoxyphenyl)ethylideneamino]thiourea
PubChem CID6068611
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name1-(furan-2-ylmethyl)-3-[(E)-1-(4-methoxyphenyl)ethylideneamino]thiourea
SMILESCOc1ccc(/C(C)=N/NC(=S)NCc2ccco2)cc1
InChIInChI=1S/C15H17N3O2S/c1-11(12-5-7-13(19-2)8-6-12)17-18-15(21)16-10-14-4-3-9-20-14/h3-9H,10H2,1-2H3,(H2,16,18,21)/b17-11+
InChIKeyYAMVRZQHRYYQSF-GZTJUZNOSA-N
XLogP2.68
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(furan-2-ylmethyl)-3-[(E)-1-(4-methoxyphenyl)ethylideneamino]thiourea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[(E)-1-(4-methoxyphenyl)ethylideneamino]thiourea (CID 6068611) is 1-(furan-2-ylmethyl)-3-[(E)-1-(4-methoxyphenyl)ethylideneamino]thiourea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[(E)-1-(4-methoxyphenyl)ethylideneamino]thiourea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[(E)-1-(4-methoxyphenyl)ethylideneamino]thiourea is COc1ccc(/C(C)=N/NC(=S)NCc2ccco2)cc1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[(E)-1-(4-methoxyphenyl)ethylideneamino]thiourea?
The InChIKey is YAMVRZQHRYYQSF-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-11(12-5-7-13(19-2)8-6-12)17-18-15(21)16-10-14-4-3-9-20-14/h3-9H,10H2,1-2H3,(H2,16,18,21)/b17-11+.
What are the key properties of 1-(furan-2-ylmethyl)-3-[(E)-1-(4-methoxyphenyl)ethylideneamino]thiourea?
1-(furan-2-ylmethyl)-3-[(E)-1-(4-methoxyphenyl)ethylideneamino]thiourea has a molecular weight of 303.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[(E)-1-(4-methoxyphenyl)ethylideneamino]thiourea is sourced from PubChem (CID 6068611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).