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

C11H11NOS — CID 57119241

IUPAC1-phenyl-2-(2H-1,3-thiazol-3-yl)ethanone
SMILESO=C(CN1C=CSC1)c1ccccc1
InChIInChI=1S/C11H11NOS/c13-11(8-12-6-7-14-9-12)10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyPQTHSTJAJKUPPR-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.35
Rot. Bonds3

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

1-phenyl-2-(2H-1,3-thiazol-3-yl)ethanone (PubChem CID 57119241) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 1-phenyl-2-(2H-1,3-thiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-phenyl-2-(2H-1,3-thiazol-3-yl)ethanone
PubChem CID57119241
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name1-phenyl-2-(2H-1,3-thiazol-3-yl)ethanone
SMILESO=C(CN1C=CSC1)c1ccccc1
InChIInChI=1S/C11H11NOS/c13-11(8-12-6-7-14-9-12)10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyPQTHSTJAJKUPPR-UHFFFAOYSA-N
XLogP2.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(2H-1,3-thiazol-3-yl)ethanone?
The IUPAC name of 1-phenyl-2-(2H-1,3-thiazol-3-yl)ethanone (CID 57119241) is 1-phenyl-2-(2H-1,3-thiazol-3-yl)ethanone.
What is the SMILES notation for 1-phenyl-2-(2H-1,3-thiazol-3-yl)ethanone?
The canonical SMILES for 1-phenyl-2-(2H-1,3-thiazol-3-yl)ethanone is O=C(CN1C=CSC1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(2H-1,3-thiazol-3-yl)ethanone?
The InChIKey is PQTHSTJAJKUPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c13-11(8-12-6-7-14-9-12)10-4-2-1-3-5-10/h1-7H,8-9H2.
What are the key properties of 1-phenyl-2-(2H-1,3-thiazol-3-yl)ethanone?
1-phenyl-2-(2H-1,3-thiazol-3-yl)ethanone has a molecular weight of 205.28 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(2H-1,3-thiazol-3-yl)ethanone is sourced from PubChem (CID 57119241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).