ethyl 5-amino-2-(2-ethylbutanoylamino)-1,3-thiazole-4-carboxylate

C12H19N3O3S — CID 82342560

IUPACethyl 5-amino-2-(2-ethylbutanoylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NC(=O)C(CC)CC)sc1N
InChIInChI=1S/C12H19N3O3S/c1-4-7(5-2)10(16)15-12-14-8(9(13)19-12)11(17)18-6-3/h7H,4-6,13H2,1-3H3,(H,14,15,16)
InChIKeyLUPDSRKXIXCCKU-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.28
Rot. Bonds6

About ethyl 5-amino-2-(2-ethylbutanoylamino)-1,3-thiazole-4-carboxylate

ethyl 5-amino-2-(2-ethylbutanoylamino)-1,3-thiazole-4-carboxylate (PubChem CID 82342560) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is ethyl 5-amino-2-(2-ethylbutanoylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-(2-ethylbutanoylamino)-1,3-thiazole-4-carboxylate
PubChem CID82342560
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Nameethyl 5-amino-2-(2-ethylbutanoylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NC(=O)C(CC)CC)sc1N
InChIInChI=1S/C12H19N3O3S/c1-4-7(5-2)10(16)15-12-14-8(9(13)19-12)11(17)18-6-3/h7H,4-6,13H2,1-3H3,(H,14,15,16)
InChIKeyLUPDSRKXIXCCKU-UHFFFAOYSA-N
XLogP2.28
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-amino-2-(pyridine-4-carbonylamino)-1,3-thiazole-4-carboxylate
CID 82342569
ethyl 2-(2-ethylbutanoylamino)-1,3-benzothiazole-6-carboxylate
CID 108739160
diethyl 2-acetamido-1,3-thiazole-4,5-dicarboxylate
CID 20788327
ethyl 2-(2-ethylbutanoylamino)-4,5-dimethylthiophene-3-carboxylate
CID 4583050
ethyl 4-methyl-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 3663745
N-[5-(2-bromoacetyl)-4-methyl-1,3-thiazol-2-yl]-2-ethylbutanamide
CID 82162108
diethyl 2-(methylamino)-1,3-thiazole-4,5-dicarboxylate
CID 27277044
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 5-ethyl-2-(2-ethylbutanoylamino)thiophene-3-carboxylate
CID 43404037
ethyl 2-[(3-amino-2-methylpropanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 168974660
2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide
CID 61467509
2-(2-ethylbutanoylamino)-4-pentan-3-yl-1,3-thiazole-5-carboxylic acid
CID 94970351

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(2-ethylbutanoylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-(2-ethylbutanoylamino)-1,3-thiazole-4-carboxylate (CID 82342560) is ethyl 5-amino-2-(2-ethylbutanoylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-(2-ethylbutanoylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-(2-ethylbutanoylamino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(NC(=O)C(CC)CC)sc1N.
What is the InChIKey of ethyl 5-amino-2-(2-ethylbutanoylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is LUPDSRKXIXCCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-4-7(5-2)10(16)15-12-14-8(9(13)19-12)11(17)18-6-3/h7H,4-6,13H2,1-3H3,(H,14,15,16).
What are the key properties of ethyl 5-amino-2-(2-ethylbutanoylamino)-1,3-thiazole-4-carboxylate?
ethyl 5-amino-2-(2-ethylbutanoylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 285.37 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(2-ethylbutanoylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 82342560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).