2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethyl]cyclopentan-1-one

C17H19NO2S — CID 79577643

IUPAC2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethyl]cyclopentan-1-one
SMILESCc1csc(-c2ccc(OCCC3CCCC3=O)cc2)n1
InChIInChI=1S/C17H19NO2S/c1-12-11-21-17(18-12)14-5-7-15(8-6-14)20-10-9-13-3-2-4-16(13)19/h5-8,11,13H,2-4,9-10H2,1H3
InChIKeyXZLYOALFFVFMOH-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.26
Rot. Bonds5

About 2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethyl]cyclopentan-1-one

2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethyl]cyclopentan-1-one (PubChem CID 79577643) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethyl]cyclopentan-1-one
PubChem CID79577643
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethyl]cyclopentan-1-one
SMILESCc1csc(-c2ccc(OCCC3CCCC3=O)cc2)n1
InChIInChI=1S/C17H19NO2S/c1-12-11-21-17(18-12)14-5-7-15(8-6-14)20-10-9-13-3-2-4-16(13)19/h5-8,11,13H,2-4,9-10H2,1H3
InChIKeyXZLYOALFFVFMOH-UHFFFAOYSA-N
XLogP4.26
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethyl]cyclopentan-1-one?
The IUPAC name of 2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethyl]cyclopentan-1-one (CID 79577643) is 2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethyl]cyclopentan-1-one.
What is the SMILES notation for 2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethyl]cyclopentan-1-one?
The canonical SMILES for 2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethyl]cyclopentan-1-one is Cc1csc(-c2ccc(OCCC3CCCC3=O)cc2)n1.
What is the InChIKey of 2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethyl]cyclopentan-1-one?
The InChIKey is XZLYOALFFVFMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-12-11-21-17(18-12)14-5-7-15(8-6-14)20-10-9-13-3-2-4-16(13)19/h5-8,11,13H,2-4,9-10H2,1H3.
What are the key properties of 2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethyl]cyclopentan-1-one?
2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethyl]cyclopentan-1-one has a molecular weight of 301.41 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethyl]cyclopentan-1-one is sourced from PubChem (CID 79577643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).