3-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]propan-1-ol

C17H17N3OS — CID 11326791

IUPAC3-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]propan-1-ol
SMILESOCCC/N=c1\nc(-c2ccccc2)n(-c2ccccc2)s1
InChIInChI=1S/C17H17N3OS/c21-13-7-12-18-17-19-16(14-8-3-1-4-9-14)20(22-17)15-10-5-2-6-11-15/h1-6,8-11,21H,7,12-13H2/b18-17+
InChIKeyYTUQASLUVYJGNJ-ISLYRVAYSA-N
MW311.41 g/mol
LogP2.88
Rot. Bonds5

About 3-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]propan-1-ol

3-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]propan-1-ol (PubChem CID 11326791) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 3-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]propan-1-ol
PubChem CID11326791
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name3-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]propan-1-ol
SMILESOCCC/N=c1\nc(-c2ccccc2)n(-c2ccccc2)s1
InChIInChI=1S/C17H17N3OS/c21-13-7-12-18-17-19-16(14-8-3-1-4-9-14)20(22-17)15-10-5-2-6-11-15/h1-6,8-11,21H,7,12-13H2/b18-17+
InChIKeyYTUQASLUVYJGNJ-ISLYRVAYSA-N
XLogP2.88
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_N_5A(3)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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
3-[(2Z)-4-phenyl-2-(phenylimino)-1,3-thiazol-3(2H)-yl]propan-1-ol
CID 16193629
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
2-[(2,3-Diphenyl-1,2,4-thiadiazol-5(2H)-ylidene)amino]ethanol hydrobromide
CID 46902082
Ethyl 2-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]acetate;hydrobromide
CID 57326116

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]propan-1-ol?
The IUPAC name of 3-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]propan-1-ol (CID 11326791) is 3-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]propan-1-ol.
What is the SMILES notation for 3-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]propan-1-ol?
The canonical SMILES for 3-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]propan-1-ol is OCCC/N=c1\nc(-c2ccccc2)n(-c2ccccc2)s1.
What is the InChIKey of 3-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]propan-1-ol?
The InChIKey is YTUQASLUVYJGNJ-ISLYRVAYSA-N. The full InChI is InChI=1S/C17H17N3OS/c21-13-7-12-18-17-19-16(14-8-3-1-4-9-14)20(22-17)15-10-5-2-6-11-15/h1-6,8-11,21H,7,12-13H2/b18-17+.
What are the key properties of 3-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]propan-1-ol?
3-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]propan-1-ol has a molecular weight of 311.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]propan-1-ol is sourced from PubChem (CID 11326791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).