cyclopentyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate

C16H18N2O3S — CID 28857824

IUPACcyclopentyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate
SMILESNc1nc(-c2ccccc2OCC(=O)OC2CCCC2)cs1
InChIInChI=1S/C16H18N2O3S/c17-16-18-13(10-22-16)12-7-3-4-8-14(12)20-9-15(19)21-11-5-1-2-6-11/h3-4,7-8,10-11H,1-2,5-6,9H2,(H2,17,18)
InChIKeyRONMBFAEKWCAHX-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.26
Rot. Bonds5

About cyclopentyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate

cyclopentyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate (PubChem CID 28857824) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is cyclopentyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate.

Molecular Properties

Compound Namecyclopentyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate
PubChem CID28857824
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Namecyclopentyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate
SMILESNc1nc(-c2ccccc2OCC(=O)OC2CCCC2)cs1
InChIInChI=1S/C16H18N2O3S/c17-16-18-13(10-22-16)12-7-3-4-8-14(12)20-9-15(19)21-11-5-1-2-6-11/h3-4,7-8,10-11H,1-2,5-6,9H2,(H2,17,18)
InChIKeyRONMBFAEKWCAHX-UHFFFAOYSA-N
XLogP3.26
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze cyclopentyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate 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 cyclopentyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate?
The IUPAC name of cyclopentyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate (CID 28857824) is cyclopentyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate.
What is the SMILES notation for cyclopentyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate?
The canonical SMILES for cyclopentyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate is Nc1nc(-c2ccccc2OCC(=O)OC2CCCC2)cs1.
What is the InChIKey of cyclopentyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate?
The InChIKey is RONMBFAEKWCAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c17-16-18-13(10-22-16)12-7-3-4-8-14(12)20-9-15(19)21-11-5-1-2-6-11/h3-4,7-8,10-11H,1-2,5-6,9H2,(H2,17,18).
What are the key properties of cyclopentyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate?
cyclopentyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate has a molecular weight of 318.40 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate is sourced from PubChem (CID 28857824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).