1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanone

C8H9NOS — CID 46784924

IUPAC1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanone
SMILESCC(=O)c1nc2c(s1)CCC2
InChIInChI=1S/C8H9NOS/c1-5(10)8-9-6-3-2-4-7(6)11-8/h2-4H2,1H3
InChIKeyLDLALUDRYCZSDR-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.83
Rot. Bonds1

About 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanone

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanone (PubChem CID 46784924) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanone
PubChem CID46784924
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanone
SMILESCC(=O)c1nc2c(s1)CCC2
InChIInChI=1S/C8H9NOS/c1-5(10)8-9-6-3-2-4-7(6)11-8/h2-4H2,1H3
InChIKeyLDLALUDRYCZSDR-UHFFFAOYSA-N
XLogP1.83
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanone?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanone (CID 46784924) is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanone?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanone is CC(=O)c1nc2c(s1)CCC2.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanone?
The InChIKey is LDLALUDRYCZSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c1-5(10)8-9-6-3-2-4-7(6)11-8/h2-4H2,1H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanone?
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanone has a molecular weight of 167.23 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanone is sourced from PubChem (CID 46784924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).