ethyl 2-(2-amino-5-ethyl-1,3-thiazol-4-yl)acetate

C9H14N2O2S — CID 817050

IUPACethyl 2-(2-amino-5-ethyl-1,3-thiazol-4-yl)acetate
SMILESCCOC(=O)Cc1nc(N)sc1CC
InChIInChI=1S/C9H14N2O2S/c1-3-7-6(11-9(10)14-7)5-8(12)13-4-2/h3-5H2,1-2H3,(H2,10,11)
InChIKeyCRFFHNUWKZWABH-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.39
Rot. Bonds4

About ethyl 2-(2-amino-5-ethyl-1,3-thiazol-4-yl)acetate

ethyl 2-(2-amino-5-ethyl-1,3-thiazol-4-yl)acetate (PubChem CID 817050) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is ethyl 2-(2-amino-5-ethyl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-amino-5-ethyl-1,3-thiazol-4-yl)acetate
PubChem CID817050
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Nameethyl 2-(2-amino-5-ethyl-1,3-thiazol-4-yl)acetate
SMILESCCOC(=O)Cc1nc(N)sc1CC
InChIInChI=1S/C9H14N2O2S/c1-3-7-6(11-9(10)14-7)5-8(12)13-4-2/h3-5H2,1-2H3,(H2,10,11)
InChIKeyCRFFHNUWKZWABH-UHFFFAOYSA-N
XLogP1.39
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-amino-1,2,5-oxadiazol-3-yl)acetate
CID 82358306
ethyl 4-(2-ethoxy-2-oxoethyl)-2-iodo-1,3-thiazole-5-carboxylate
CID 69484699
ethyl 2-[2-[4-(2-ethoxy-2-oxoethyl)-2-methyl-1,3-thiazol-5-yl]-5-methyl-1,3-thiazol-4-yl]acetate
CID 59297164
ethyl 2-(6-amino-3-chloro-2-pyridinyl)acetate
CID 58972926
ethyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetate
CID 24705602
1-(2-amino-4-ethyl-1,3-thiazol-5-yl)ethanone
CID 13485346
2-amino-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82225421
ethyl 2-(3-bromo-6-methyl-2-pyridinyl)acetate
CID 171029890
ethyl 2-(3,6-dibromo-2-pyridinyl)acetate
CID 121228136
ethyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate
CID 13015593
ethane;ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate
CID 145143337
ethyl 2-(6-cyano-3-hydroxy-2-pyridinyl)acetate
CID 133097572

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-5-ethyl-1,3-thiazol-4-yl)acetate?
The IUPAC name of ethyl 2-(2-amino-5-ethyl-1,3-thiazol-4-yl)acetate (CID 817050) is ethyl 2-(2-amino-5-ethyl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-(2-amino-5-ethyl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for ethyl 2-(2-amino-5-ethyl-1,3-thiazol-4-yl)acetate is CCOC(=O)Cc1nc(N)sc1CC.
What is the InChIKey of ethyl 2-(2-amino-5-ethyl-1,3-thiazol-4-yl)acetate?
The InChIKey is CRFFHNUWKZWABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-3-7-6(11-9(10)14-7)5-8(12)13-4-2/h3-5H2,1-2H3,(H2,10,11).
What are the key properties of ethyl 2-(2-amino-5-ethyl-1,3-thiazol-4-yl)acetate?
ethyl 2-(2-amino-5-ethyl-1,3-thiazol-4-yl)acetate has a molecular weight of 214.29 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-5-ethyl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 817050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).