2,5-diphenyl-1,2-thiazol-3-one

C15H11NOS — CID 15294640

IUPAC2,5-diphenyl-1,2-thiazol-3-one
SMILESO=c1cc(-c2ccccc2)sn1-c1ccccc1
InChIInChI=1S/C15H11NOS/c17-15-11-14(12-7-3-1-4-8-12)18-16(15)13-9-5-2-6-10-13/h1-11H
InChIKeyXCVACVOQHCBPPN-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.57
Rot. Bonds2

About 2,5-diphenyl-1,2-thiazol-3-one

2,5-diphenyl-1,2-thiazol-3-one (PubChem CID 15294640) has the molecular formula C15H11NOS and a molecular weight of 253.33 g/mol. Its IUPAC name is 2,5-diphenyl-1,2-thiazol-3-one.

Molecular Properties

Compound Name2,5-diphenyl-1,2-thiazol-3-one
PubChem CID15294640
Molecular FormulaC15H11NOS
Molecular Weight253.33 g/mol
Exact Mass253.06
IUPAC Name2,5-diphenyl-1,2-thiazol-3-one
SMILESO=c1cc(-c2ccccc2)sn1-c1ccccc1
InChIInChI=1S/C15H11NOS/c17-15-11-14(12-7-3-1-4-8-12)18-16(15)13-9-5-2-6-10-13/h1-11H
InChIKeyXCVACVOQHCBPPN-UHFFFAOYSA-N
XLogP3.57
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-1,2-thiazol-3-one?
The IUPAC name of 2,5-diphenyl-1,2-thiazol-3-one (CID 15294640) is 2,5-diphenyl-1,2-thiazol-3-one.
What is the SMILES notation for 2,5-diphenyl-1,2-thiazol-3-one?
The canonical SMILES for 2,5-diphenyl-1,2-thiazol-3-one is O=c1cc(-c2ccccc2)sn1-c1ccccc1.
What is the InChIKey of 2,5-diphenyl-1,2-thiazol-3-one?
The InChIKey is XCVACVOQHCBPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NOS/c17-15-11-14(12-7-3-1-4-8-12)18-16(15)13-9-5-2-6-10-13/h1-11H.
What are the key properties of 2,5-diphenyl-1,2-thiazol-3-one?
2,5-diphenyl-1,2-thiazol-3-one has a molecular weight of 253.33 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-1,2-thiazol-3-one is sourced from PubChem (CID 15294640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).