[2-(3-chlorophenoxy)-1,3-thiazol-5-yl] ethyl carbonate

C12H10ClNO4S — CID 91050842

IUPAC[2-(3-chlorophenoxy)-1,3-thiazol-5-yl] ethyl carbonate
SMILESCCOC(=O)Oc1cnc(Oc2cccc(Cl)c2)s1
InChIInChI=1S/C12H10ClNO4S/c1-2-16-12(15)18-10-7-14-11(19-10)17-9-5-3-4-8(13)6-9/h3-7H,2H2,1H3
InChIKeyBPTMCPGGVHMBHC-UHFFFAOYSA-N
MW299.74 g/mol
LogP4.12
Rot. Bonds4

About [2-(3-chlorophenoxy)-1,3-thiazol-5-yl] ethyl carbonate

[2-(3-chlorophenoxy)-1,3-thiazol-5-yl] ethyl carbonate (PubChem CID 91050842) has the molecular formula C12H10ClNO4S and a molecular weight of 299.74 g/mol. Its IUPAC name is [2-(3-chlorophenoxy)-1,3-thiazol-5-yl] ethyl carbonate.

Molecular Properties

Compound Name[2-(3-chlorophenoxy)-1,3-thiazol-5-yl] ethyl carbonate
PubChem CID91050842
Molecular FormulaC12H10ClNO4S
Molecular Weight299.74 g/mol
Exact Mass299.00
IUPAC Name[2-(3-chlorophenoxy)-1,3-thiazol-5-yl] ethyl carbonate
SMILESCCOC(=O)Oc1cnc(Oc2cccc(Cl)c2)s1
InChIInChI=1S/C12H10ClNO4S/c1-2-16-12(15)18-10-7-14-11(19-10)17-9-5-3-4-8(13)6-9/h3-7H,2H2,1H3
InChIKeyBPTMCPGGVHMBHC-UHFFFAOYSA-N
XLogP4.12
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(3-chlorophenoxy)-1,3-thiazol-5-yl] ethyl carbonate 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 [2-(3-chlorophenoxy)-1,3-thiazol-5-yl] ethyl carbonate?
The IUPAC name of [2-(3-chlorophenoxy)-1,3-thiazol-5-yl] ethyl carbonate (CID 91050842) is [2-(3-chlorophenoxy)-1,3-thiazol-5-yl] ethyl carbonate.
What is the SMILES notation for [2-(3-chlorophenoxy)-1,3-thiazol-5-yl] ethyl carbonate?
The canonical SMILES for [2-(3-chlorophenoxy)-1,3-thiazol-5-yl] ethyl carbonate is CCOC(=O)Oc1cnc(Oc2cccc(Cl)c2)s1.
What is the InChIKey of [2-(3-chlorophenoxy)-1,3-thiazol-5-yl] ethyl carbonate?
The InChIKey is BPTMCPGGVHMBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO4S/c1-2-16-12(15)18-10-7-14-11(19-10)17-9-5-3-4-8(13)6-9/h3-7H,2H2,1H3.
What are the key properties of [2-(3-chlorophenoxy)-1,3-thiazol-5-yl] ethyl carbonate?
[2-(3-chlorophenoxy)-1,3-thiazol-5-yl] ethyl carbonate has a molecular weight of 299.74 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenoxy)-1,3-thiazol-5-yl] ethyl carbonate is sourced from PubChem (CID 91050842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).