1-(4-ethyl-1,3-thiazol-2-yl)ethanone

C7H9NOS — CID 45086015

IUPAC1-(4-ethyl-1,3-thiazol-2-yl)ethanone
SMILESCCc1csc(C(C)=O)n1
InChIInChI=1S/C7H9NOS/c1-3-6-4-10-7(8-6)5(2)9/h4H,3H2,1-2H3
InChIKeyBBYPDHMUWHQEAO-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.91
Rot. Bonds2

About 1-(4-ethyl-1,3-thiazol-2-yl)ethanone

1-(4-ethyl-1,3-thiazol-2-yl)ethanone (PubChem CID 45086015) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 1-(4-ethyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethyl-1,3-thiazol-2-yl)ethanone
PubChem CID45086015
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name1-(4-ethyl-1,3-thiazol-2-yl)ethanone
SMILESCCc1csc(C(C)=O)n1
InChIInChI=1S/C7H9NOS/c1-3-6-4-10-7(8-6)5(2)9/h4H,3H2,1-2H3
InChIKeyBBYPDHMUWHQEAO-UHFFFAOYSA-N
XLogP1.91
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(4-ethyl-1,3-thiazol-2-yl)ethanone (CID 45086015) is 1-(4-ethyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-ethyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(4-ethyl-1,3-thiazol-2-yl)ethanone is CCc1csc(C(C)=O)n1.
What is the InChIKey of 1-(4-ethyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is BBYPDHMUWHQEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-3-6-4-10-7(8-6)5(2)9/h4H,3H2,1-2H3.
What are the key properties of 1-(4-ethyl-1,3-thiazol-2-yl)ethanone?
1-(4-ethyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 155.22 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 45086015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).