2,2-diphenyl-1-(1,3-thiazol-2-yl)ethanone

C17H13NOS — CID 12747837

IUPAC2,2-diphenyl-1-(1,3-thiazol-2-yl)ethanone
SMILESO=C(c1nccs1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H13NOS/c19-16(17-18-11-12-20-17)15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,15H
InChIKeyFRLLVXNEUIPCTO-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.16
Rot. Bonds4

About 2,2-diphenyl-1-(1,3-thiazol-2-yl)ethanone

2,2-diphenyl-1-(1,3-thiazol-2-yl)ethanone (PubChem CID 12747837) has the molecular formula C17H13NOS and a molecular weight of 279.36 g/mol. Its IUPAC name is 2,2-diphenyl-1-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name2,2-diphenyl-1-(1,3-thiazol-2-yl)ethanone
PubChem CID12747837
Molecular FormulaC17H13NOS
Molecular Weight279.36 g/mol
Exact Mass279.07
IUPAC Name2,2-diphenyl-1-(1,3-thiazol-2-yl)ethanone
SMILESO=C(c1nccs1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H13NOS/c19-16(17-18-11-12-20-17)15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,15H
InChIKeyFRLLVXNEUIPCTO-UHFFFAOYSA-N
XLogP4.16
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-1-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 2,2-diphenyl-1-(1,3-thiazol-2-yl)ethanone (CID 12747837) is 2,2-diphenyl-1-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 2,2-diphenyl-1-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 2,2-diphenyl-1-(1,3-thiazol-2-yl)ethanone is O=C(c1nccs1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-1-(1,3-thiazol-2-yl)ethanone?
The InChIKey is FRLLVXNEUIPCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NOS/c19-16(17-18-11-12-20-17)15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,15H.
What are the key properties of 2,2-diphenyl-1-(1,3-thiazol-2-yl)ethanone?
2,2-diphenyl-1-(1,3-thiazol-2-yl)ethanone has a molecular weight of 279.36 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-1-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 12747837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).