ethyl 2-(2-benzamido-1,3-thiazol-5-yl)acetate

C14H14N2O3S — CID 730870

IUPACethyl 2-(2-benzamido-1,3-thiazol-5-yl)acetate
SMILESCCOC(=O)Cc1cnc(NC(=O)c2ccccc2)s1
InChIInChI=1S/C14H14N2O3S/c1-2-19-12(17)8-11-9-15-14(20-11)16-13(18)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,15,16,18)
InChIKeyAIOLYWIAVAVRPW-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.50
Rot. Bonds5

About ethyl 2-(2-benzamido-1,3-thiazol-5-yl)acetate

ethyl 2-(2-benzamido-1,3-thiazol-5-yl)acetate (PubChem CID 730870) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is ethyl 2-(2-benzamido-1,3-thiazol-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-benzamido-1,3-thiazol-5-yl)acetate
PubChem CID730870
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Nameethyl 2-(2-benzamido-1,3-thiazol-5-yl)acetate
SMILESCCOC(=O)Cc1cnc(NC(=O)c2ccccc2)s1
InChIInChI=1S/C14H14N2O3S/c1-2-19-12(17)8-11-9-15-14(20-11)16-13(18)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,15,16,18)
InChIKeyAIOLYWIAVAVRPW-UHFFFAOYSA-N
XLogP2.50
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 5329385
3-methyl-N-[5-(4-morpholinylmethyl)-1,3-thiazol-2-yl]benzamide
CID 1252103
N-(5-Ethylthiazol-2-yl)-2-phenylacetamide
CID 44396065
N-[5-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 73669508
N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2673074
4-(1,3-dithiolan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 26197752
3-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 18129922
N-(5-Isopropyl-thiazol-2-yl)-2-oxo-2-phenyl-acetamide
CID 22170582
N-(5-Isopropyl-thiazol-2-yl)-benzamide
CID 22170855
US10913733, Example 9
CID 129251191
2-(2-methoxyethylthio)-N-(2-thiazolyl)benzamide
CID 1803129
2-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2673038

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-benzamido-1,3-thiazol-5-yl)acetate?
The IUPAC name of ethyl 2-(2-benzamido-1,3-thiazol-5-yl)acetate (CID 730870) is ethyl 2-(2-benzamido-1,3-thiazol-5-yl)acetate.
What is the SMILES notation for ethyl 2-(2-benzamido-1,3-thiazol-5-yl)acetate?
The canonical SMILES for ethyl 2-(2-benzamido-1,3-thiazol-5-yl)acetate is CCOC(=O)Cc1cnc(NC(=O)c2ccccc2)s1.
What is the InChIKey of ethyl 2-(2-benzamido-1,3-thiazol-5-yl)acetate?
The InChIKey is AIOLYWIAVAVRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-2-19-12(17)8-11-9-15-14(20-11)16-13(18)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,15,16,18).
What are the key properties of ethyl 2-(2-benzamido-1,3-thiazol-5-yl)acetate?
ethyl 2-(2-benzamido-1,3-thiazol-5-yl)acetate has a molecular weight of 290.34 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-benzamido-1,3-thiazol-5-yl)acetate is sourced from PubChem (CID 730870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).