(2S)-2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole

C14H12N2S — CID 40650711

IUPAC(2S)-2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole
SMILESc1ccc(C2=NN[C@H](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/t13-/m0/s1
InChIKeyMRNSNACRABGADQ-ZDUSSCGKSA-N
MW240.33 g/mol
LogP3.38
Rot. Bonds2

About (2S)-2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole

(2S)-2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole (PubChem CID 40650711) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is (2S)-2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole.

Molecular Properties

Compound Name(2S)-2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole
PubChem CID40650711
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name(2S)-2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole
SMILESc1ccc(C2=NN[C@H](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/t13-/m0/s1
InChIKeyMRNSNACRABGADQ-ZDUSSCGKSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole?
The IUPAC name of (2S)-2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole (CID 40650711) is (2S)-2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole.
What is the SMILES notation for (2S)-2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole?
The canonical SMILES for (2S)-2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole is c1ccc(C2=NN[C@H](c3ccccc3)S2)cc1.
What is the InChIKey of (2S)-2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole?
The InChIKey is MRNSNACRABGADQ-ZDUSSCGKSA-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/t13-/m0/s1.
What are the key properties of (2S)-2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole?
(2S)-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 (2S)-2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole is sourced from PubChem (CID 40650711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).