2-[4-(4-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol;hydrobromide

C17H16BrFN2OS — CID 15944945

IUPAC2-[4-(4-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol;hydrobromide
SMILESBr.OCCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccccc1
InChIInChI=1S/C17H15FN2OS.BrH/c18-14-8-6-13(7-9-14)16-12-22-17(20(16)10-11-21)19-15-4-2-1-3-5-15;/h1-9,12,21H,10-11H2;1H/b19-17-;
InChIKeySSECFZHLUBDGPU-HGMLFDQWSA-N
MW395.30 g/mol
LogP4.16
Rot. Bonds4

About 2-[4-(4-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol;hydrobromide

2-[4-(4-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol;hydrobromide (PubChem CID 15944945) has the molecular formula C17H16BrFN2OS and a molecular weight of 395.30 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol;hydrobromide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol;hydrobromide
PubChem CID15944945
Molecular FormulaC17H16BrFN2OS
Molecular Weight395.30 g/mol
Exact Mass394.02
IUPAC Name2-[4-(4-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol;hydrobromide
SMILESBr.OCCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccccc1
InChIInChI=1S/C17H15FN2OS.BrH/c18-14-8-6-13(7-9-14)16-12-22-17(20(16)10-11-21)19-15-4-2-1-3-5-15;/h1-9,12,21H,10-11H2;1H/b19-17-;
InChIKeySSECFZHLUBDGPU-HGMLFDQWSA-N
XLogP4.16
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.30
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol;hydrobromide?
The IUPAC name of 2-[4-(4-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol;hydrobromide (CID 15944945) is 2-[4-(4-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol;hydrobromide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol;hydrobromide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol;hydrobromide is Br.OCCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccccc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol;hydrobromide?
The InChIKey is SSECFZHLUBDGPU-HGMLFDQWSA-N. The full InChI is InChI=1S/C17H15FN2OS.BrH/c18-14-8-6-13(7-9-14)16-12-22-17(20(16)10-11-21)19-15-4-2-1-3-5-15;/h1-9,12,21H,10-11H2;1H/b19-17-;.
What are the key properties of 2-[4-(4-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol;hydrobromide?
2-[4-(4-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol;hydrobromide has a molecular weight of 395.30 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol;hydrobromide is sourced from PubChem (CID 15944945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).