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

C15H16N2O4S — CID 814167

IUPACethyl 2-[2-[(3-methoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cccc(OC)c2)n1
InChIInChI=1S/C15H16N2O4S/c1-3-21-13(18)8-11-9-22-15(16-11)17-14(19)10-5-4-6-12(7-10)20-2/h4-7,9H,3,8H2,1-2H3,(H,16,17,19)
InChIKeyPMMSXDRBJKRQLD-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.51
Rot. Bonds6

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

ethyl 2-[2-[(3-methoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 814167) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is ethyl 2-[2-[(3-methoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(3-methoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID814167
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Nameethyl 2-[2-[(3-methoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cccc(OC)c2)n1
InChIInChI=1S/C15H16N2O4S/c1-3-21-13(18)8-11-9-22-15(16-11)17-14(19)10-5-4-6-12(7-10)20-2/h4-7,9H,3,8H2,1-2H3,(H,16,17,19)
InChIKeyPMMSXDRBJKRQLD-UHFFFAOYSA-N
XLogP2.51
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(3-methoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(3-methoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate (CID 814167) is ethyl 2-[2-[(3-methoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(3-methoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(3-methoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2cccc(OC)c2)n1.
What is the InChIKey of ethyl 2-[2-[(3-methoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is PMMSXDRBJKRQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-3-21-13(18)8-11-9-22-15(16-11)17-14(19)10-5-4-6-12(7-10)20-2/h4-7,9H,3,8H2,1-2H3,(H,16,17,19).
What are the key properties of ethyl 2-[2-[(3-methoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(3-methoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 320.37 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(3-methoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 814167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).