1-(1,3-thiazol-2-yl)ethyl 2-methoxybenzoate

C13H13NO3S — CID 71982462

IUPAC1-(1,3-thiazol-2-yl)ethyl 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OC(C)c1nccs1
InChIInChI=1S/C13H13NO3S/c1-9(12-14-7-8-18-12)17-13(15)10-5-3-4-6-11(10)16-2/h3-9H,1-2H3
InChIKeySVFDTYNQLQKHEB-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.07
Rot. Bonds4

About 1-(1,3-thiazol-2-yl)ethyl 2-methoxybenzoate

1-(1,3-thiazol-2-yl)ethyl 2-methoxybenzoate (PubChem CID 71982462) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)ethyl 2-methoxybenzoate.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)ethyl 2-methoxybenzoate
PubChem CID71982462
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name1-(1,3-thiazol-2-yl)ethyl 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OC(C)c1nccs1
InChIInChI=1S/C13H13NO3S/c1-9(12-14-7-8-18-12)17-13(15)10-5-3-4-6-11(10)16-2/h3-9H,1-2H3
InChIKeySVFDTYNQLQKHEB-UHFFFAOYSA-N
XLogP3.07
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)ethyl 2-methoxybenzoate?
The IUPAC name of 1-(1,3-thiazol-2-yl)ethyl 2-methoxybenzoate (CID 71982462) is 1-(1,3-thiazol-2-yl)ethyl 2-methoxybenzoate.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)ethyl 2-methoxybenzoate?
The canonical SMILES for 1-(1,3-thiazol-2-yl)ethyl 2-methoxybenzoate is COc1ccccc1C(=O)OC(C)c1nccs1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)ethyl 2-methoxybenzoate?
The InChIKey is SVFDTYNQLQKHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-9(12-14-7-8-18-12)17-13(15)10-5-3-4-6-11(10)16-2/h3-9H,1-2H3.
What are the key properties of 1-(1,3-thiazol-2-yl)ethyl 2-methoxybenzoate?
1-(1,3-thiazol-2-yl)ethyl 2-methoxybenzoate has a molecular weight of 263.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)ethyl 2-methoxybenzoate is sourced from PubChem (CID 71982462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).