2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole

C14H12N2S — CID 4585660

IUPAC2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole
SMILESc1ccc(C2=NNC(c3ccccc3)S2)cc1
InChIInChI=1S/C14H12N2S/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12/h1-10,13,15H
InChIKeyMRNSNACRABGADQ-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.38
Rot. Bonds2

About 2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole

2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole (PubChem CID 4585660) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole.

Molecular Properties

Compound Name2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole
PubChem CID4585660
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole
SMILESc1ccc(C2=NNC(c3ccccc3)S2)cc1
InChIInChI=1S/C14H12N2S/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12/h1-10,13,15H
InChIKeyMRNSNACRABGADQ-UHFFFAOYSA-N
XLogP3.38
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Fluorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole
CID 3704631
2-(3-Fluorophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
CID 4395503
Methyl4-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenylsulfide
CID 4570467
2-(4-Chlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
CID 2861132
(7Z)-7-benzylidene-3-phenyl-2,3,3a,4-tetrahydrothiopyrano[4,3-c]pyrazole
CID 15567418
2-(4-Fluorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole
CID 2871209
(r,s)-5-Phenyl-2-p-tolyl-2,3-dihydro-[1,3,4]thiadiazole
CID 12885169
Benzaldehyde benzylhydrazone
CID 12999649
CID 73164213
CID 73164213
Phenyl-1,3,4-thiadiazoline
CID 91370268
5-Phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-thiadiazole
CID 2871289
5-(2,5-Difluorophenyl)-2-methyl-2-phenyl-2,3-dihydro-1,3,4-thiadiazole
CID 68503997

Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole?
The IUPAC name of 2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole (CID 4585660) is 2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole.
What is the SMILES notation for 2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole?
The canonical SMILES for 2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole is c1ccc(C2=NNC(c3ccccc3)S2)cc1.
What is the InChIKey of 2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole?
The InChIKey is MRNSNACRABGADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12/h1-10,13,15H.
What are the key properties of 2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole?
2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole has a molecular weight of 240.33 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole is sourced from PubChem (CID 4585660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).