ethyl 2-[2-chloro-4-(1,3-thiazolidin-2-ylmethyl)phenoxy]acetate

C14H18ClNO3S — CID 10087087

IUPACethyl 2-[2-chloro-4-(1,3-thiazolidin-2-ylmethyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(CC2NCCS2)cc1Cl
InChIInChI=1S/C14H18ClNO3S/c1-2-18-14(17)9-19-12-4-3-10(7-11(12)15)8-13-16-5-6-20-13/h3-4,7,13,16H,2,5-6,8-9H2,1H3
InChIKeyDBLZVPOPBFFGQM-UHFFFAOYSA-N
MW315.82 g/mol
LogP2.49
Rot. Bonds6

About ethyl 2-[2-chloro-4-(1,3-thiazolidin-2-ylmethyl)phenoxy]acetate

ethyl 2-[2-chloro-4-(1,3-thiazolidin-2-ylmethyl)phenoxy]acetate (PubChem CID 10087087) has the molecular formula C14H18ClNO3S and a molecular weight of 315.82 g/mol. Its IUPAC name is ethyl 2-[2-chloro-4-(1,3-thiazolidin-2-ylmethyl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-chloro-4-(1,3-thiazolidin-2-ylmethyl)phenoxy]acetate
PubChem CID10087087
Molecular FormulaC14H18ClNO3S
Molecular Weight315.82 g/mol
Exact Mass315.07
IUPAC Nameethyl 2-[2-chloro-4-(1,3-thiazolidin-2-ylmethyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(CC2NCCS2)cc1Cl
InChIInChI=1S/C14H18ClNO3S/c1-2-18-14(17)9-19-12-4-3-10(7-11(12)15)8-13-16-5-6-20-13/h3-4,7,13,16H,2,5-6,8-9H2,1H3
InChIKeyDBLZVPOPBFFGQM-UHFFFAOYSA-N
XLogP2.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-chloro-4-(1,3-thiazolidin-2-ylmethyl)phenoxy]acetate?
The IUPAC name of ethyl 2-[2-chloro-4-(1,3-thiazolidin-2-ylmethyl)phenoxy]acetate (CID 10087087) is ethyl 2-[2-chloro-4-(1,3-thiazolidin-2-ylmethyl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-chloro-4-(1,3-thiazolidin-2-ylmethyl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[2-chloro-4-(1,3-thiazolidin-2-ylmethyl)phenoxy]acetate is CCOC(=O)COc1ccc(CC2NCCS2)cc1Cl.
What is the InChIKey of ethyl 2-[2-chloro-4-(1,3-thiazolidin-2-ylmethyl)phenoxy]acetate?
The InChIKey is DBLZVPOPBFFGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3S/c1-2-18-14(17)9-19-12-4-3-10(7-11(12)15)8-13-16-5-6-20-13/h3-4,7,13,16H,2,5-6,8-9H2,1H3.
What are the key properties of ethyl 2-[2-chloro-4-(1,3-thiazolidin-2-ylmethyl)phenoxy]acetate?
ethyl 2-[2-chloro-4-(1,3-thiazolidin-2-ylmethyl)phenoxy]acetate has a molecular weight of 315.82 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-chloro-4-(1,3-thiazolidin-2-ylmethyl)phenoxy]acetate is sourced from PubChem (CID 10087087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).