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

C14H12BrN3OS — CID 18552806

IUPAC3-[(E)-furan-2-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1\scc(-c2ccccc2)n1/N=C/c1ccco1
InChIInChI=1S/C14H11N3OS.BrH/c15-14-17(16-9-12-7-4-8-18-12)13(10-19-14)11-5-2-1-3-6-11;/h1-10,15H;1H/b15-14-,16-9+;
InChIKeySMIOUIMXEJUVIN-IJVMKWNHSA-N
MW350.24 g/mol
LogP3.75
Rot. Bonds3

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

3-[(E)-furan-2-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-imine;hydrobromide (PubChem CID 18552806) has the molecular formula C14H12BrN3OS and a molecular weight of 350.24 g/mol. Its IUPAC name is 3-[(E)-furan-2-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-imine;hydrobromide.

Molecular Properties

Compound Name3-[(E)-furan-2-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-imine;hydrobromide
PubChem CID18552806
Molecular FormulaC14H12BrN3OS
Molecular Weight350.24 g/mol
Exact Mass348.99
IUPAC Name3-[(E)-furan-2-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1\scc(-c2ccccc2)n1/N=C/c1ccco1
InChIInChI=1S/C14H11N3OS.BrH/c15-14-17(16-9-12-7-4-8-18-12)13(10-19-14)11-5-2-1-3-6-11;/h1-10,15H;1H/b15-14-,16-9+;
InChIKeySMIOUIMXEJUVIN-IJVMKWNHSA-N
XLogP3.75
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-furan-2-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-imine;hydrobromide?
The IUPAC name of 3-[(E)-furan-2-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-imine;hydrobromide (CID 18552806) is 3-[(E)-furan-2-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-imine;hydrobromide.
What is the SMILES notation for 3-[(E)-furan-2-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-imine;hydrobromide?
The canonical SMILES for 3-[(E)-furan-2-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-imine;hydrobromide is Br.[H]/N=c1\scc(-c2ccccc2)n1/N=C/c1ccco1.
What is the InChIKey of 3-[(E)-furan-2-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-imine;hydrobromide?
The InChIKey is SMIOUIMXEJUVIN-IJVMKWNHSA-N. The full InChI is InChI=1S/C14H11N3OS.BrH/c15-14-17(16-9-12-7-4-8-18-12)13(10-19-14)11-5-2-1-3-6-11;/h1-10,15H;1H/b15-14-,16-9+;.
What are the key properties of 3-[(E)-furan-2-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-imine;hydrobromide?
3-[(E)-furan-2-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-imine;hydrobromide has a molecular weight of 350.24 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-furan-2-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-imine;hydrobromide is sourced from PubChem (CID 18552806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).