2-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)ethanol;hydrobromide

C17H17BrN2OS — CID 15945655

IUPAC2-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)ethanol;hydrobromide
SMILESBr.OCCn1c(-c2ccccc2)cs/c1=N\c1ccccc1
InChIInChI=1S/C17H16N2OS.BrH/c20-12-11-19-16(14-7-3-1-4-8-14)13-21-17(19)18-15-9-5-2-6-10-15;/h1-10,13,20H,11-12H2;1H/b18-17-;
InChIKeyDFLLMOWGDFHJSQ-YBFBCAGJSA-N
MW377.31 g/mol
LogP4.02
Rot. Bonds4

About 2-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)ethanol;hydrobromide

2-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)ethanol;hydrobromide (PubChem CID 15945655) has the molecular formula C17H17BrN2OS and a molecular weight of 377.31 g/mol. Its IUPAC name is 2-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)ethanol;hydrobromide.

Molecular Properties

Compound Name2-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)ethanol;hydrobromide
PubChem CID15945655
Molecular FormulaC17H17BrN2OS
Molecular Weight377.31 g/mol
Exact Mass376.02
IUPAC Name2-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)ethanol;hydrobromide
SMILESBr.OCCn1c(-c2ccccc2)cs/c1=N\c1ccccc1
InChIInChI=1S/C17H16N2OS.BrH/c20-12-11-19-16(14-7-3-1-4-8-14)13-21-17(19)18-15-9-5-2-6-10-15;/h1-10,13,20H,11-12H2;1H/b18-17-;
InChIKeyDFLLMOWGDFHJSQ-YBFBCAGJSA-N
XLogP4.02
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.31
LogP ≤ 54.02
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-phenyl-2-phenylimino-1,3-thiazol-3-yl)ethanol;hydrobromide?
The IUPAC name of 2-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)ethanol;hydrobromide (CID 15945655) is 2-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)ethanol;hydrobromide.
What is the SMILES notation for 2-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)ethanol;hydrobromide?
The canonical SMILES for 2-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)ethanol;hydrobromide is Br.OCCn1c(-c2ccccc2)cs/c1=N\c1ccccc1.
What is the InChIKey of 2-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)ethanol;hydrobromide?
The InChIKey is DFLLMOWGDFHJSQ-YBFBCAGJSA-N. The full InChI is InChI=1S/C17H16N2OS.BrH/c20-12-11-19-16(14-7-3-1-4-8-14)13-21-17(19)18-15-9-5-2-6-10-15;/h1-10,13,20H,11-12H2;1H/b18-17-;.
What are the key properties of 2-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)ethanol;hydrobromide?
2-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)ethanol;hydrobromide has a molecular weight of 377.31 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)ethanol;hydrobromide is sourced from PubChem (CID 15945655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).