cyclopenten-1-yl(1,3-thiazol-4-yl)methanone

C9H9NOS — CID 114988923

IUPACcyclopenten-1-yl(1,3-thiazol-4-yl)methanone
SMILESO=C(C1=CCCC1)c1cscn1
InChIInChI=1S/C9H9NOS/c11-9(7-3-1-2-4-7)8-5-12-6-10-8/h3,5-6H,1-2,4H2
InChIKeyCTDBISYFNAFYDA-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.44
Rot. Bonds2

About cyclopenten-1-yl(1,3-thiazol-4-yl)methanone

cyclopenten-1-yl(1,3-thiazol-4-yl)methanone (PubChem CID 114988923) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is cyclopenten-1-yl(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Namecyclopenten-1-yl(1,3-thiazol-4-yl)methanone
PubChem CID114988923
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Namecyclopenten-1-yl(1,3-thiazol-4-yl)methanone
SMILESO=C(C1=CCCC1)c1cscn1
InChIInChI=1S/C9H9NOS/c11-9(7-3-1-2-4-7)8-5-12-6-10-8/h3,5-6H,1-2,4H2
InChIKeyCTDBISYFNAFYDA-UHFFFAOYSA-N
XLogP2.44
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclopenten-1-yl(1,3-thiazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl(1,3-thiazol-4-yl)methanone?
The IUPAC name of cyclopenten-1-yl(1,3-thiazol-4-yl)methanone (CID 114988923) is cyclopenten-1-yl(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for cyclopenten-1-yl(1,3-thiazol-4-yl)methanone?
The canonical SMILES for cyclopenten-1-yl(1,3-thiazol-4-yl)methanone is O=C(C1=CCCC1)c1cscn1.
What is the InChIKey of cyclopenten-1-yl(1,3-thiazol-4-yl)methanone?
The InChIKey is CTDBISYFNAFYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c11-9(7-3-1-2-4-7)8-5-12-6-10-8/h3,5-6H,1-2,4H2.
What are the key properties of cyclopenten-1-yl(1,3-thiazol-4-yl)methanone?
cyclopenten-1-yl(1,3-thiazol-4-yl)methanone has a molecular weight of 179.24 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 114988923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).