2-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol;hydrobromide

C16H16BrN3OS — CID 46902082

IUPAC2-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol;hydrobromide
SMILESBr.OCC/N=c1\nc(-c2ccccc2)n(-c2ccccc2)s1
InChIInChI=1S/C16H15N3OS.BrH/c20-12-11-17-16-18-15(13-7-3-1-4-8-13)19(21-16)14-9-5-2-6-10-14;/h1-10,20H,11-12H2;1H/b17-16+;
InChIKeyVLVQVWAXLWYNNK-CMBBICFISA-N
MW378.30 g/mol
LogP3.07
Rot. Bonds4

About 2-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol;hydrobromide

2-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol;hydrobromide (PubChem CID 46902082) has the molecular formula C16H16BrN3OS and a molecular weight of 378.30 g/mol. Its IUPAC name is 2-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol;hydrobromide.

Molecular Properties

Compound Name2-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol;hydrobromide
PubChem CID46902082
Molecular FormulaC16H16BrN3OS
Molecular Weight378.30 g/mol
Exact Mass377.02
IUPAC Name2-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol;hydrobromide
SMILESBr.OCC/N=c1\nc(-c2ccccc2)n(-c2ccccc2)s1
InChIInChI=1S/C16H15N3OS.BrH/c20-12-11-17-16-18-15(13-7-3-1-4-8-13)19(21-16)14-9-5-2-6-10-14;/h1-10,20H,11-12H2;1H/b17-16+;
InChIKeyVLVQVWAXLWYNNK-CMBBICFISA-N
XLogP3.07
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_N_5A(3)', 'substructure': 'N/A'}

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Related Compounds

Methanamine, N-(2,3-diphenyl-1,2,4-thiadiazol-5(2H)-ylidene)-
CID 682802
SCH-202676 hydrobromide
CID 11957689
(E)-N-(2,3-diphenyl-1,2,4-thiadiazol-5(2H)-yliden
CID 11165763
2-[(2,3-Diphenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol;hydrochloride
CID 56965124
5-(2-Hydroxyethylimino)-2-(1-naphthyl)-3-phenyl-2,5-dihydro-1,2,4-thiadiazole hydrobromide
CID 57326394
2-[(3-Naphthalen-1-yl-2-phenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol;hydrobromide
CID 57326396
Methyl-[3-phenyl-2-m-tolyl-2H-[1,2,4]thiadiazol-(5E)-ylidene]-amine
CID 10016584
N-(2-morpholin-4-ylethyl)-2,3-diphenyl-1,2,4-thiadiazol-5-imine;hydrobromide
CID 70687703
N,2,3-triphenyl-2,5-dihydro-1,2,4-thiadiazol-5-imine
CID 2134245
Ethyl 2-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]acetate;hydrobromide
CID 57326116
Ethyl 2-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]acetate
CID 57326117
5-Pentylimino-2,3-diphenyl-2,5-dihydro-1,2,4-thiadiazole hydrobromide
CID 57326216

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol;hydrobromide?
The IUPAC name of 2-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol;hydrobromide (CID 46902082) is 2-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol;hydrobromide.
What is the SMILES notation for 2-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol;hydrobromide?
The canonical SMILES for 2-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol;hydrobromide is Br.OCC/N=c1\nc(-c2ccccc2)n(-c2ccccc2)s1.
What is the InChIKey of 2-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol;hydrobromide?
The InChIKey is VLVQVWAXLWYNNK-CMBBICFISA-N. The full InChI is InChI=1S/C16H15N3OS.BrH/c20-12-11-17-16-18-15(13-7-3-1-4-8-13)19(21-16)14-9-5-2-6-10-14;/h1-10,20H,11-12H2;1H/b17-16+;.
What are the key properties of 2-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol;hydrobromide?
2-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol;hydrobromide has a molecular weight of 378.30 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol;hydrobromide is sourced from PubChem (CID 46902082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).