ethyl 2-acetamido-1,3-thiazole-4-carboxylate

C8H10N2O3S — CID 702548

IUPACethyl 2-acetamido-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(C)=O)n1
InChIInChI=1S/C8H10N2O3S/c1-3-13-7(12)6-4-14-8(10-6)9-5(2)11/h4H,3H2,1-2H3,(H,9,10,11)
InChIKeyRJJRNCMTKFEYCB-UHFFFAOYSA-N
MW214.25 g/mol
LogP1.28
Rot. Bonds3

About ethyl 2-acetamido-1,3-thiazole-4-carboxylate

ethyl 2-acetamido-1,3-thiazole-4-carboxylate (PubChem CID 702548) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is ethyl 2-acetamido-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-acetamido-1,3-thiazole-4-carboxylate
PubChem CID702548
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Nameethyl 2-acetamido-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(C)=O)n1
InChIInChI=1S/C8H10N2O3S/c1-3-13-7(12)6-4-14-8(10-6)9-5(2)11/h4H,3H2,1-2H3,(H,9,10,11)
InChIKeyRJJRNCMTKFEYCB-UHFFFAOYSA-N
XLogP1.28
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Acetamido-1,3-thiazole-4-carboxylic acid
CID 840113
Ethyl 2-aminothiazole-4-carboxylate
CID 73216
Ethyl 2-amino-1,3-thiazole-4-carboxylate hydrochloride
CID 16192542
Methyl 2-amino-1,3-thiazole-4-carboxylate
CID 840099
Ethyl 2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazole-4-carboxylate
CID 396823
Ethyl 2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 396824
Ethyl 2-(5,6-dihydro-1,4-dioxine-2-carboxamido)thiazole-4-carboxylate
CID 4133003
2-[2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-thiazole-4-carboxylic acid ethyl ester
CID 648413
Ethyl 2-butanamido-1,3-thiazole-4-carboxylate
CID 2326262
Ethyl 2-[(2-cyclopentylacetyl)amino]-1,3-thiazole-4-carboxylate
CID 2349751
Ethyl 2-(2-formylhydrazino)-1,3-thiazole-4-carboxylate
CID 2718854
Ethyl 2-[(2-piperidinoacetyl)amino]-1,3-thiazole-4-carboxylate
CID 396822

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-acetamido-1,3-thiazole-4-carboxylate (CID 702548) is ethyl 2-acetamido-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-acetamido-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-acetamido-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(C)=O)n1.
What is the InChIKey of ethyl 2-acetamido-1,3-thiazole-4-carboxylate?
The InChIKey is RJJRNCMTKFEYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-3-13-7(12)6-4-14-8(10-6)9-5(2)11/h4H,3H2,1-2H3,(H,9,10,11).
What are the key properties of ethyl 2-acetamido-1,3-thiazole-4-carboxylate?
ethyl 2-acetamido-1,3-thiazole-4-carboxylate has a molecular weight of 214.25 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 702548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).