2-(4-chlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole

C14H11ClN2S — CID 2861132

IUPAC2-(4-chlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
SMILESClc1ccc(C2NN=C(c3ccccc3)S2)cc1
InChIInChI=1S/C14H11ClN2S/c15-12-8-6-11(7-9-12)14-17-16-13(18-14)10-4-2-1-3-5-10/h1-9,14,17H
InChIKeyFJPCKWLGUUDTOP-UHFFFAOYSA-N
MW274.78 g/mol
LogP4.04
Rot. Bonds2

About 2-(4-chlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole

2-(4-chlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole (PubChem CID 2861132) has the molecular formula C14H11ClN2S and a molecular weight of 274.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
PubChem CID2861132
Molecular FormulaC14H11ClN2S
Molecular Weight274.78 g/mol
Exact Mass274.03
IUPAC Name2-(4-chlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
SMILESClc1ccc(C2NN=C(c3ccccc3)S2)cc1
InChIInChI=1S/C14H11ClN2S/c15-12-8-6-11(7-9-12)14-17-16-13(18-14)10-4-2-1-3-5-10/h1-9,14,17H
InChIKeyFJPCKWLGUUDTOP-UHFFFAOYSA-N
XLogP4.04
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.78
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole (CID 2861132) is 2-(4-chlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole is Clc1ccc(C2NN=C(c3ccccc3)S2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole?
The InChIKey is FJPCKWLGUUDTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2S/c15-12-8-6-11(7-9-12)14-17-16-13(18-14)10-4-2-1-3-5-10/h1-9,14,17H.
What are the key properties of 2-(4-chlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole?
2-(4-chlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole has a molecular weight of 274.78 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole is sourced from PubChem (CID 2861132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).