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

C15H16N2O3S — CID 7140220

IUPACethyl 2-[2-(benzamidomethyl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(CNC(=O)c2ccccc2)n1
InChIInChI=1S/C15H16N2O3S/c1-2-20-14(18)8-12-10-21-13(17-12)9-16-15(19)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,16,19)
InChIKeyPZQHAENABJIEEG-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.18
Rot. Bonds6

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

ethyl 2-[2-(benzamidomethyl)-1,3-thiazol-4-yl]acetate (PubChem CID 7140220) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is ethyl 2-[2-(benzamidomethyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(benzamidomethyl)-1,3-thiazol-4-yl]acetate
PubChem CID7140220
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Nameethyl 2-[2-(benzamidomethyl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(CNC(=O)c2ccccc2)n1
InChIInChI=1S/C15H16N2O3S/c1-2-20-14(18)8-12-10-21-13(17-12)9-16-15(19)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,16,19)
InChIKeyPZQHAENABJIEEG-UHFFFAOYSA-N
XLogP2.18
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate
CID 1132760
ethyl 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetate
CID 107380154
ethyl 2-[2-[(4-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 2466553
ethyl 2-[2-(4-aminobutyl)-1,3-thiazol-4-yl]acetate
CID 107380238
ethyl 2-[2-[[(6-cyano-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]acetate
CID 154844984
ethyl 2-[2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 55649828
ethyl 2-[2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]acetate
CID 80574337
methyl 2-[[2-(benzamidomethyl)-1,3-thiazol-4-yl]methyl-cyclopentylamino]acetate
CID 71849580
ethyl 2-[2-[2-oxo-3-(4-phenylphenoxy)propyl]-1,3-thiazol-4-yl]acetate
CID 45381899
N-[[4-[[[1-(ethylcarbamoyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 86818587
2-(benzamidomethyl)-1,3-thiazole-4-carboxylate
CID 7140214
ethyl 2-[2-[[4-(phenylcarbamoyl)phenyl]methylsulfanyl]-1,3-thiazol-4-yl]acetate
CID 8590634

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(benzamidomethyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(benzamidomethyl)-1,3-thiazol-4-yl]acetate (CID 7140220) is ethyl 2-[2-(benzamidomethyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(benzamidomethyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(benzamidomethyl)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(CNC(=O)c2ccccc2)n1.
What is the InChIKey of ethyl 2-[2-(benzamidomethyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is PZQHAENABJIEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-2-20-14(18)8-12-10-21-13(17-12)9-16-15(19)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,16,19).
What are the key properties of ethyl 2-[2-(benzamidomethyl)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(benzamidomethyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 304.37 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(benzamidomethyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 7140220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).