N-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)acetamide

C16H13N3OS — CID 912894

IUPACN-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)acetamide
SMILESCC(=O)/N=c1\nc(-c2ccccc2)n(-c2ccccc2)s1
InChIInChI=1S/C16H13N3OS/c1-12(20)17-16-18-15(13-8-4-2-5-9-13)19(21-16)14-10-6-3-7-11-14/h2-11H,1H3/b17-16+
InChIKeyQYXWHMDYMVPARY-WUKNDPDISA-N
MW295.37 g/mol
LogP3.05
Rot. Bonds2

About N-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)acetamide

N-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)acetamide (PubChem CID 912894) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is N-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)acetamide.

Molecular Properties

Compound NameN-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)acetamide
PubChem CID912894
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC NameN-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)acetamide
SMILESCC(=O)/N=c1\nc(-c2ccccc2)n(-c2ccccc2)s1
InChIInChI=1S/C16H13N3OS/c1-12(20)17-16-18-15(13-8-4-2-5-9-13)19(21-16)14-10-6-3-7-11-14/h2-11H,1H3/b17-16+
InChIKeyQYXWHMDYMVPARY-WUKNDPDISA-N
XLogP3.05
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
(E)-N-(2,3-diphenyl-1,2,4-thiadiazol-5(2H)-yliden
CID 11165763
SCH-202676 hydrobromide
CID 11957689
2-[(2,3-Diphenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol;hydrochloride
CID 56965124
Methyl-[3-phenyl-2-m-tolyl-2H-[1,2,4]thiadiazol-(5E)-ylidene]-amine
CID 10016584
2,3-Diphenyl-1,2,4-thiadiazol-5-imine;hydrobromide
CID 57326215
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
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
2,3-Diphenyl-1,2,4-thiadiazol-5-imine
CID 682721

Frequently Asked Questions

What is the IUPAC name of N-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)acetamide?
The IUPAC name of N-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)acetamide (CID 912894) is N-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)acetamide.
What is the SMILES notation for N-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)acetamide?
The canonical SMILES for N-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)acetamide is CC(=O)/N=c1\nc(-c2ccccc2)n(-c2ccccc2)s1.
What is the InChIKey of N-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)acetamide?
The InChIKey is QYXWHMDYMVPARY-WUKNDPDISA-N. The full InChI is InChI=1S/C16H13N3OS/c1-12(20)17-16-18-15(13-8-4-2-5-9-13)19(21-16)14-10-6-3-7-11-14/h2-11H,1H3/b17-16+.
What are the key properties of N-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)acetamide?
N-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)acetamide has a molecular weight of 295.37 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)acetamide is sourced from PubChem (CID 912894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).