(E)-N-[(E)-furan-2-ylmethylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine;hydrobromide

C17H16BrN3OS — CID 90675478

IUPAC(E)-N-[(E)-furan-2-ylmethylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine;hydrobromide
SMILESBr.C=CCn1c(-c2ccccc2)cs/c1=N\N=C\c1ccco1
InChIInChI=1S/C17H15N3OS.BrH/c1-2-10-20-16(14-7-4-3-5-8-14)13-22-17(20)19-18-12-15-9-6-11-21-15;/h2-9,11-13H,1,10H2;1H/b18-12+,19-17-;
InChIKeyMLRXSVOQJLIFIV-SMFLSVSPSA-N
MW390.31 g/mol
LogP4.51
Rot. Bonds5

About (E)-N-[(E)-furan-2-ylmethylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine;hydrobromide

(E)-N-[(E)-furan-2-ylmethylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine;hydrobromide (PubChem CID 90675478) has the molecular formula C17H16BrN3OS and a molecular weight of 390.31 g/mol. Its IUPAC name is (E)-N-[(E)-furan-2-ylmethylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine;hydrobromide.

Molecular Properties

Compound Name(E)-N-[(E)-furan-2-ylmethylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine;hydrobromide
PubChem CID90675478
Molecular FormulaC17H16BrN3OS
Molecular Weight390.31 g/mol
Exact Mass389.02
IUPAC Name(E)-N-[(E)-furan-2-ylmethylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine;hydrobromide
SMILESBr.C=CCn1c(-c2ccccc2)cs/c1=N\N=C\c1ccco1
InChIInChI=1S/C17H15N3OS.BrH/c1-2-10-20-16(14-7-4-3-5-8-14)13-22-17(20)19-18-12-15-9-6-11-21-15;/h2-9,11-13H,1,10H2;1H/b18-12+,19-17-;
InChIKeyMLRXSVOQJLIFIV-SMFLSVSPSA-N
XLogP4.51
TPSA42.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-[(E)-furan-2-ylmethylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine;hydrobromide 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 (E)-N-[(E)-furan-2-ylmethylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine;hydrobromide?
The IUPAC name of (E)-N-[(E)-furan-2-ylmethylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine;hydrobromide (CID 90675478) is (E)-N-[(E)-furan-2-ylmethylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine;hydrobromide.
What is the SMILES notation for (E)-N-[(E)-furan-2-ylmethylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine;hydrobromide?
The canonical SMILES for (E)-N-[(E)-furan-2-ylmethylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine;hydrobromide is Br.C=CCn1c(-c2ccccc2)cs/c1=N\N=C\c1ccco1.
What is the InChIKey of (E)-N-[(E)-furan-2-ylmethylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine;hydrobromide?
The InChIKey is MLRXSVOQJLIFIV-SMFLSVSPSA-N. The full InChI is InChI=1S/C17H15N3OS.BrH/c1-2-10-20-16(14-7-4-3-5-8-14)13-22-17(20)19-18-12-15-9-6-11-21-15;/h2-9,11-13H,1,10H2;1H/b18-12+,19-17-;.
What are the key properties of (E)-N-[(E)-furan-2-ylmethylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine;hydrobromide?
(E)-N-[(E)-furan-2-ylmethylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine;hydrobromide has a molecular weight of 390.31 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-furan-2-ylmethylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine;hydrobromide is sourced from PubChem (CID 90675478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).