1-ethyl-3-[(E)-(5-phenylfuran-2-yl)methylideneamino]thiourea

C14H15N3OS — CID 5349793

IUPAC1-ethyl-3-[(E)-(5-phenylfuran-2-yl)methylideneamino]thiourea
SMILESCCNC(=S)N/N=C/c1ccc(-c2ccccc2)o1
InChIInChI=1S/C14H15N3OS/c1-2-15-14(19)17-16-10-12-8-9-13(18-12)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H2,15,17,19)/b16-10+
InChIKeyNOAYEXZCRYCYLY-MHWRWJLKSA-N
MW273.36 g/mol
LogP2.76
Rot. Bonds4

About 1-ethyl-3-[(E)-(5-phenylfuran-2-yl)methylideneamino]thiourea

1-ethyl-3-[(E)-(5-phenylfuran-2-yl)methylideneamino]thiourea (PubChem CID 5349793) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-ethyl-3-[(E)-(5-phenylfuran-2-yl)methylideneamino]thiourea.

Molecular Properties

Compound Name1-ethyl-3-[(E)-(5-phenylfuran-2-yl)methylideneamino]thiourea
PubChem CID5349793
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name1-ethyl-3-[(E)-(5-phenylfuran-2-yl)methylideneamino]thiourea
SMILESCCNC(=S)N/N=C/c1ccc(-c2ccccc2)o1
InChIInChI=1S/C14H15N3OS/c1-2-15-14(19)17-16-10-12-8-9-13(18-12)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H2,15,17,19)/b16-10+
InChIKeyNOAYEXZCRYCYLY-MHWRWJLKSA-N
XLogP2.76
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze 1-ethyl-3-[(E)-(5-phenylfuran-2-yl)methylideneamino]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(E)-(5-phenylfuran-2-yl)methylideneamino]thiourea?
The IUPAC name of 1-ethyl-3-[(E)-(5-phenylfuran-2-yl)methylideneamino]thiourea (CID 5349793) is 1-ethyl-3-[(E)-(5-phenylfuran-2-yl)methylideneamino]thiourea.
What is the SMILES notation for 1-ethyl-3-[(E)-(5-phenylfuran-2-yl)methylideneamino]thiourea?
The canonical SMILES for 1-ethyl-3-[(E)-(5-phenylfuran-2-yl)methylideneamino]thiourea is CCNC(=S)N/N=C/c1ccc(-c2ccccc2)o1.
What is the InChIKey of 1-ethyl-3-[(E)-(5-phenylfuran-2-yl)methylideneamino]thiourea?
The InChIKey is NOAYEXZCRYCYLY-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-2-15-14(19)17-16-10-12-8-9-13(18-12)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H2,15,17,19)/b16-10+.
What are the key properties of 1-ethyl-3-[(E)-(5-phenylfuran-2-yl)methylideneamino]thiourea?
1-ethyl-3-[(E)-(5-phenylfuran-2-yl)methylideneamino]thiourea has a molecular weight of 273.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(E)-(5-phenylfuran-2-yl)methylideneamino]thiourea is sourced from PubChem (CID 5349793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).