3-[2-(2-chloroethoxy)ethyl]-1,3-thiazol-2-one

C7H10ClNO2S — CID 63665213

IUPAC3-[2-(2-chloroethoxy)ethyl]-1,3-thiazol-2-one
SMILESO=c1sccn1CCOCCCl
InChIInChI=1S/C7H10ClNO2S/c8-1-4-11-5-2-9-3-6-12-7(9)10/h3,6H,1-2,4-5H2
InChIKeyGVMVRRIFLLWRPD-UHFFFAOYSA-N
MW207.68 g/mol
LogP1.17
Rot. Bonds5

About 3-[2-(2-chloroethoxy)ethyl]-1,3-thiazol-2-one

3-[2-(2-chloroethoxy)ethyl]-1,3-thiazol-2-one (PubChem CID 63665213) has the molecular formula C7H10ClNO2S and a molecular weight of 207.68 g/mol. Its IUPAC name is 3-[2-(2-chloroethoxy)ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(2-chloroethoxy)ethyl]-1,3-thiazol-2-one
PubChem CID63665213
Molecular FormulaC7H10ClNO2S
Molecular Weight207.68 g/mol
Exact Mass207.01
IUPAC Name3-[2-(2-chloroethoxy)ethyl]-1,3-thiazol-2-one
SMILESO=c1sccn1CCOCCCl
InChIInChI=1S/C7H10ClNO2S/c8-1-4-11-5-2-9-3-6-12-7(9)10/h3,6H,1-2,4-5H2
InChIKeyGVMVRRIFLLWRPD-UHFFFAOYSA-N
XLogP1.17
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.68
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chloroethoxy)ethyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(2-chloroethoxy)ethyl]-1,3-thiazol-2-one (CID 63665213) is 3-[2-(2-chloroethoxy)ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(2-chloroethoxy)ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(2-chloroethoxy)ethyl]-1,3-thiazol-2-one is O=c1sccn1CCOCCCl.
What is the InChIKey of 3-[2-(2-chloroethoxy)ethyl]-1,3-thiazol-2-one?
The InChIKey is GVMVRRIFLLWRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNO2S/c8-1-4-11-5-2-9-3-6-12-7(9)10/h3,6H,1-2,4-5H2.
What are the key properties of 3-[2-(2-chloroethoxy)ethyl]-1,3-thiazol-2-one?
3-[2-(2-chloroethoxy)ethyl]-1,3-thiazol-2-one has a molecular weight of 207.68 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chloroethoxy)ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 63665213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).