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

C14H16N2O2S — CID 1132760

IUPACethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NCc2ccccc2)n1
InChIInChI=1S/C14H16N2O2S/c1-2-18-13(17)8-12-10-19-14(16-12)15-9-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,15,16)
InChIKeyWDGWOYRDNVIXFN-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.86
Rot. Bonds6

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

ethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 1132760) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is ethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate
PubChem CID1132760
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Nameethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NCc2ccccc2)n1
InChIInChI=1S/C14H16N2O2S/c1-2-18-13(17)8-12-10-19-14(16-12)15-9-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,15,16)
InChIKeyWDGWOYRDNVIXFN-UHFFFAOYSA-N
XLogP2.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[2-[(3-fluorophenyl)methylamino]-1,3-thiazol-4-yl]acetate
CID 80575641
ethyl 2-[2-(1H-pyrazol-4-ylmethylamino)-1,3-thiazol-4-yl]acetate
CID 80575988
ethyl 2-[2-(2H-tetrazol-5-ylmethylamino)-1,3-thiazol-4-yl]acetate
CID 80575166
ethyl 2-[2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575326
ethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]propanoate
CID 80575297
methyl 3-[2-(benzylamino)-1,3-thiazol-4-yl]propanoate
CID 107039874
ethyl 2-[2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 55649828
ethyl 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate
CID 78907475
ethyl 2-[2-[(2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10268845
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-(2-benzylsulfanylpropanoylamino)-1,3-thiazol-4-yl]acetate
CID 23886497
4-(aminomethyl)-N-benzyl-1,3-thiazol-2-amine
CID 84684942

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate (CID 1132760) is ethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NCc2ccccc2)n1.
What is the InChIKey of ethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is WDGWOYRDNVIXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-2-18-13(17)8-12-10-19-14(16-12)15-9-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,15,16).
What are the key properties of ethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 276.36 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 1132760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).