2-methoxyethyl 2,4-dichloro-1,3-thiazole-5-carboxylate

C7H7Cl2NO3S — CID 170410220

IUPAC2-methoxyethyl 2,4-dichloro-1,3-thiazole-5-carboxylate
SMILESCOCCOC(=O)c1sc(Cl)nc1Cl
InChIInChI=1S/C7H7Cl2NO3S/c1-12-2-3-13-6(11)4-5(8)10-7(9)14-4/h2-3H2,1H3
InChIKeyBIRYOPLBNKUREJ-UHFFFAOYSA-N
MW256.11 g/mol
LogP2.25
Rot. Bonds4

About 2-methoxyethyl 2,4-dichloro-1,3-thiazole-5-carboxylate

2-methoxyethyl 2,4-dichloro-1,3-thiazole-5-carboxylate (PubChem CID 170410220) has the molecular formula C7H7Cl2NO3S and a molecular weight of 256.11 g/mol. Its IUPAC name is 2-methoxyethyl 2,4-dichloro-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 2,4-dichloro-1,3-thiazole-5-carboxylate
PubChem CID170410220
Molecular FormulaC7H7Cl2NO3S
Molecular Weight256.11 g/mol
Exact Mass254.95
IUPAC Name2-methoxyethyl 2,4-dichloro-1,3-thiazole-5-carboxylate
SMILESCOCCOC(=O)c1sc(Cl)nc1Cl
InChIInChI=1S/C7H7Cl2NO3S/c1-12-2-3-13-6(11)4-5(8)10-7(9)14-4/h2-3H2,1H3
InChIKeyBIRYOPLBNKUREJ-UHFFFAOYSA-N
XLogP2.25
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.11
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2,4-dichloro-1,3-thiazole-5-carboxylate?
The IUPAC name of 2-methoxyethyl 2,4-dichloro-1,3-thiazole-5-carboxylate (CID 170410220) is 2-methoxyethyl 2,4-dichloro-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 2-methoxyethyl 2,4-dichloro-1,3-thiazole-5-carboxylate?
The canonical SMILES for 2-methoxyethyl 2,4-dichloro-1,3-thiazole-5-carboxylate is COCCOC(=O)c1sc(Cl)nc1Cl.
What is the InChIKey of 2-methoxyethyl 2,4-dichloro-1,3-thiazole-5-carboxylate?
The InChIKey is BIRYOPLBNKUREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO3S/c1-12-2-3-13-6(11)4-5(8)10-7(9)14-4/h2-3H2,1H3.
What are the key properties of 2-methoxyethyl 2,4-dichloro-1,3-thiazole-5-carboxylate?
2-methoxyethyl 2,4-dichloro-1,3-thiazole-5-carboxylate has a molecular weight of 256.11 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2,4-dichloro-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 170410220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).