4,5-diphenyl-1,3-thiazole

C15H11NS — CID 837859

IUPAC4,5-diphenyl-1,3-thiazole
SMILESc1ccc(-c2ncsc2-c2ccccc2)cc1
InChIInChI=1S/C15H11NS/c1-3-7-12(8-4-1)14-15(17-11-16-14)13-9-5-2-6-10-13/h1-11H
InChIKeyBGTVICKPWACXLR-UHFFFAOYSA-N
MW237.33 g/mol
LogP4.48
Rot. Bonds2

About 4,5-diphenyl-1,3-thiazole

4,5-diphenyl-1,3-thiazole (PubChem CID 837859) has the molecular formula C15H11NS and a molecular weight of 237.33 g/mol. Its IUPAC name is 4,5-diphenyl-1,3-thiazole.

Molecular Properties

Compound Name4,5-diphenyl-1,3-thiazole
PubChem CID837859
Molecular FormulaC15H11NS
Molecular Weight237.33 g/mol
Exact Mass237.06
IUPAC Name4,5-diphenyl-1,3-thiazole
SMILESc1ccc(-c2ncsc2-c2ccccc2)cc1
InChIInChI=1S/C15H11NS/c1-3-7-12(8-4-1)14-15(17-11-16-14)13-9-5-2-6-10-13/h1-11H
InChIKeyBGTVICKPWACXLR-UHFFFAOYSA-N
XLogP4.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-1,3-thiazole?
The IUPAC name of 4,5-diphenyl-1,3-thiazole (CID 837859) is 4,5-diphenyl-1,3-thiazole.
What is the SMILES notation for 4,5-diphenyl-1,3-thiazole?
The canonical SMILES for 4,5-diphenyl-1,3-thiazole is c1ccc(-c2ncsc2-c2ccccc2)cc1.
What is the InChIKey of 4,5-diphenyl-1,3-thiazole?
The InChIKey is BGTVICKPWACXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NS/c1-3-7-12(8-4-1)14-15(17-11-16-14)13-9-5-2-6-10-13/h1-11H.
What are the key properties of 4,5-diphenyl-1,3-thiazole?
4,5-diphenyl-1,3-thiazole has a molecular weight of 237.33 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-1,3-thiazole is sourced from PubChem (CID 837859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).