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

C9H12N2O3S — CID 3477732

IUPACethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
SMILESCCOC(=O)Cc1csc(NC(C)=O)n1
InChIInChI=1S/C9H12N2O3S/c1-3-14-8(13)4-7-5-15-9(11-7)10-6(2)12/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyINGKHJJPHOQNBJ-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.21
Rot. Bonds4

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

ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate (PubChem CID 3477732) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
PubChem CID3477732
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Nameethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
SMILESCCOC(=O)Cc1csc(NC(C)=O)n1
InChIInChI=1S/C9H12N2O3S/c1-3-14-8(13)4-7-5-15-9(11-7)10-6(2)12/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyINGKHJJPHOQNBJ-UHFFFAOYSA-N
XLogP1.21
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(carbamothioylamino)-1,3-thiazol-4-yl]acetate
CID 16637409
ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 129010827
ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate
CID 110460282
ethyl 2-[2-(prop-2-enoylamino)-1,3-thiazol-4-yl]acetate
CID 43622982
ethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
CID 119262725
ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate
CID 43405484
(Z)-4-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoic acid
CID 2323320
ethyl 2-[2-[[2-(4-aminophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 110451962
ethyl 2-[2-(3-ethylpentan-3-ylamino)-1,3-thiazol-4-yl]acetate
CID 80576123
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
ethyl 2-[2-[(1-methylcyclopentanecarbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 78909599

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate?
The IUPAC name of ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate (CID 3477732) is ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate?
The canonical SMILES for ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate is CCOC(=O)Cc1csc(NC(C)=O)n1.
What is the InChIKey of ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate?
The InChIKey is INGKHJJPHOQNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-3-14-8(13)4-7-5-15-9(11-7)10-6(2)12/h5H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate?
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate has a molecular weight of 228.27 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 3477732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).