2-[2-(4-pyrazol-1-ylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide

C14H17N3O3S — CID 97127127

IUPAC2-[2-(4-pyrazol-1-ylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1CCOc1ccc(-n2cccn2)cc1
InChIInChI=1S/C14H17N3O3S/c18-21(19)12-2-8-16(21)10-11-20-14-5-3-13(4-6-14)17-9-1-7-15-17/h1,3-7,9H,2,8,10-12H2
InChIKeyPBFGHESXOJJSKY-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.29
Rot. Bonds5

About 2-[2-(4-pyrazol-1-ylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide

2-[2-(4-pyrazol-1-ylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 97127127) has the molecular formula C14H17N3O3S and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-[2-(4-pyrazol-1-ylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[2-(4-pyrazol-1-ylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID97127127
Molecular FormulaC14H17N3O3S
Molecular Weight307.37 g/mol
Exact Mass307.10
IUPAC Name2-[2-(4-pyrazol-1-ylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1CCOc1ccc(-n2cccn2)cc1
InChIInChI=1S/C14H17N3O3S/c18-21(19)12-2-8-16(21)10-11-20-14-5-3-13(4-6-14)17-9-1-7-15-17/h1,3-7,9H,2,8,10-12H2
InChIKeyPBFGHESXOJJSKY-UHFFFAOYSA-N
XLogP1.29
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-pyrazol-1-ylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[2-(4-pyrazol-1-ylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide (CID 97127127) is 2-[2-(4-pyrazol-1-ylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[2-(4-pyrazol-1-ylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[2-(4-pyrazol-1-ylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CCCN1CCOc1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-[2-(4-pyrazol-1-ylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is PBFGHESXOJJSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c18-21(19)12-2-8-16(21)10-11-20-14-5-3-13(4-6-14)17-9-1-7-15-17/h1,3-7,9H,2,8,10-12H2.
What are the key properties of 2-[2-(4-pyrazol-1-ylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide?
2-[2-(4-pyrazol-1-ylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 307.37 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-pyrazol-1-ylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 97127127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).