2-[2-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate

C16H17N2O4S- — CID 9148390

IUPAC2-[2-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
SMILESCCOc1cccc(CNC(=O)Cc2nc(CC(=O)[O-])cs2)c1
InChIInChI=1S/C16H18N2O4S/c1-2-22-13-5-3-4-11(6-13)9-17-14(19)8-15-18-12(10-23-15)7-16(20)21/h3-6,10H,2,7-9H2,1H3,(H,17,19)(H,20,21)/p-1
InChIKeyXNMODFWLPJKAFI-UHFFFAOYSA-M
MW333.39 g/mol
LogP0.69
Rot. Bonds8

About 2-[2-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate

2-[2-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate (PubChem CID 9148390) has the molecular formula C16H17N2O4S- and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[2-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name2-[2-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
PubChem CID9148390
Molecular FormulaC16H17N2O4S-
Molecular Weight333.39 g/mol
Exact Mass333.09
IUPAC Name2-[2-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
SMILESCCOc1cccc(CNC(=O)Cc2nc(CC(=O)[O-])cs2)c1
InChIInChI=1S/C16H18N2O4S/c1-2-22-13-5-3-4-11(6-13)9-17-14(19)8-15-18-12(10-23-15)7-16(20)21/h3-6,10H,2,7-9H2,1H3,(H,17,19)(H,20,21)/p-1
InChIKeyXNMODFWLPJKAFI-UHFFFAOYSA-M
XLogP0.69
TPSA91.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
CID 9148071
2-[2-[2-[(4-hydroxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
CID 9148100
2-[2-[2-[(2,6-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
CID 9148055
4-methyl-2-[2-oxo-2-[(3-propoxyphenyl)methylamino]ethyl]-1,3-thiazole-5-carboxylate
CID 9147935
2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
CID 9148295
2-[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 7745420
2-[2-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
CID 9155391
4-[[(3-ethoxyphenyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103240021
2-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 112730361
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(3-chlorophenyl)methyl]acetamide
CID 24524667
methyl N-[4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 16883817
4-methyl-2-[2-oxo-2-[(3-propoxyphenyl)methylamino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 9147936

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of 2-[2-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate (CID 9148390) is 2-[2-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for 2-[2-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for 2-[2-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate is CCOc1cccc(CNC(=O)Cc2nc(CC(=O)[O-])cs2)c1.
What is the InChIKey of 2-[2-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is XNMODFWLPJKAFI-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H18N2O4S/c1-2-22-13-5-3-4-11(6-13)9-17-14(19)8-15-18-12(10-23-15)7-16(20)21/h3-6,10H,2,7-9H2,1H3,(H,17,19)(H,20,21)/p-1.
What are the key properties of 2-[2-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate?
2-[2-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 333.39 g/mol, XLogP of 0.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 9148390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).