ethyl 2-[2-[(2-acetyloxybenzoyl)amino]-1,3-thiazol-4-yl]acetate

C16H16N2O5S — CID 5185384

IUPACethyl 2-[2-[(2-acetyloxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccccc2OC(C)=O)n1
InChIInChI=1S/C16H16N2O5S/c1-3-22-14(20)8-11-9-24-16(17-11)18-15(21)12-6-4-5-7-13(12)23-10(2)19/h4-7,9H,3,8H2,1-2H3,(H,17,18,21)
InChIKeyKNHFPPBIXOUWLE-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.43
Rot. Bonds6

About ethyl 2-[2-[(2-acetyloxybenzoyl)amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(2-acetyloxybenzoyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 5185384) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is ethyl 2-[2-[(2-acetyloxybenzoyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2-acetyloxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID5185384
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Nameethyl 2-[2-[(2-acetyloxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccccc2OC(C)=O)n1
InChIInChI=1S/C16H16N2O5S/c1-3-22-14(20)8-11-9-24-16(17-11)18-15(21)12-6-4-5-7-13(12)23-10(2)19/h4-7,9H,3,8H2,1-2H3,(H,17,18,21)
InChIKeyKNHFPPBIXOUWLE-UHFFFAOYSA-N
XLogP2.43
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2-acetyloxybenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(2-acetyloxybenzoyl)amino]-1,3-thiazol-4-yl]acetate (CID 5185384) is ethyl 2-[2-[(2-acetyloxybenzoyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(2-acetyloxybenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(2-acetyloxybenzoyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2ccccc2OC(C)=O)n1.
What is the InChIKey of ethyl 2-[2-[(2-acetyloxybenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is KNHFPPBIXOUWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-3-22-14(20)8-11-9-24-16(17-11)18-15(21)12-6-4-5-7-13(12)23-10(2)19/h4-7,9H,3,8H2,1-2H3,(H,17,18,21).
What are the key properties of ethyl 2-[2-[(2-acetyloxybenzoyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(2-acetyloxybenzoyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 348.38 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2-acetyloxybenzoyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 5185384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).