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

C11H9NOS — CID 10998096

IUPAC2-phenyl-1-(1,3-thiazol-2-yl)ethanone
SMILESO=C(Cc1ccccc1)c1nccs1
InChIInChI=1S/C11H9NOS/c13-10(11-12-6-7-14-11)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyAVQUQUPRIYRNFZ-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.57
Rot. Bonds3

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

2-phenyl-1-(1,3-thiazol-2-yl)ethanone (PubChem CID 10998096) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is 2-phenyl-1-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name2-phenyl-1-(1,3-thiazol-2-yl)ethanone
PubChem CID10998096
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC Name2-phenyl-1-(1,3-thiazol-2-yl)ethanone
SMILESO=C(Cc1ccccc1)c1nccs1
InChIInChI=1S/C11H9NOS/c13-10(11-12-6-7-14-11)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyAVQUQUPRIYRNFZ-UHFFFAOYSA-N
XLogP2.57
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 2-phenyl-1-(1,3-thiazol-2-yl)ethanone (CID 10998096) is 2-phenyl-1-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 2-phenyl-1-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 2-phenyl-1-(1,3-thiazol-2-yl)ethanone is O=C(Cc1ccccc1)c1nccs1.
What is the InChIKey of 2-phenyl-1-(1,3-thiazol-2-yl)ethanone?
The InChIKey is AVQUQUPRIYRNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS/c13-10(11-12-6-7-14-11)8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 2-phenyl-1-(1,3-thiazol-2-yl)ethanone?
2-phenyl-1-(1,3-thiazol-2-yl)ethanone has a molecular weight of 203.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 10998096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).