ethyl 5-acetyl-2-(2-aminopropyl)-1,3-thiazole-4-carboxylate

C11H16N2O3S — CID 107380163

IUPACethyl 5-acetyl-2-(2-aminopropyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC(C)N)sc1C(C)=O
InChIInChI=1S/C11H16N2O3S/c1-4-16-11(15)9-10(7(3)14)17-8(13-9)5-6(2)12/h6H,4-5,12H2,1-3H3
InChIKeyKYBHZUZBLYZWCC-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.41
Rot. Bonds5

About ethyl 5-acetyl-2-(2-aminopropyl)-1,3-thiazole-4-carboxylate

ethyl 5-acetyl-2-(2-aminopropyl)-1,3-thiazole-4-carboxylate (PubChem CID 107380163) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is ethyl 5-acetyl-2-(2-aminopropyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-acetyl-2-(2-aminopropyl)-1,3-thiazole-4-carboxylate
PubChem CID107380163
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Nameethyl 5-acetyl-2-(2-aminopropyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC(C)N)sc1C(C)=O
InChIInChI=1S/C11H16N2O3S/c1-4-16-11(15)9-10(7(3)14)17-8(13-9)5-6(2)12/h6H,4-5,12H2,1-3H3
InChIKeyKYBHZUZBLYZWCC-UHFFFAOYSA-N
XLogP1.41
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-acetyl-2-(methylaminomethyl)-1,3-thiazole-4-carboxylate
CID 107380120
ethyl 5-acetyl-2-[amino(cyclopropyl)methyl]-1,3-thiazole-4-carboxylate
CID 107380026
ethyl 5-acetyl-2-[(4-amino-4-oxobutan-2-yl)amino]-1,3-thiazole-4-carboxylate
CID 107378363
ethyl 2-(2-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527183
5-acetyl-2-methyl-1,3-thiazole-4-carboxamide;azane;ethyl 5-acetyl-2-methyl-1,3-thiazole-4-carboxylate
CID 158653673
ethyl 5-acetyl-2-[(2-chlorophenyl)methyl]-1,3-thiazole-4-carboxylate
CID 107376342
ethyl 5-acetyl-2-(2,3,3-trimethylbutylamino)-1,3-thiazole-4-carboxylate
CID 107378230
ethyl 5-acetyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazole-4-carboxylate
CID 107377239
ethyl 5-acetyl-2-(2,2-difluoroethylamino)-1,3-thiazole-4-carboxylate
CID 107378177
ethyl 5-acetyl-2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazole-4-carboxylate
CID 107376490
ethyl 5-acetyl-2-[(5-amino-5-oxopentyl)amino]-1,3-thiazole-4-carboxylate
CID 106241485
ethyl 5-acetyl-2-(4-hydroxyphenyl)-1,3-thiazole-4-carboxylate
CID 136701775

Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetyl-2-(2-aminopropyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-acetyl-2-(2-aminopropyl)-1,3-thiazole-4-carboxylate (CID 107380163) is ethyl 5-acetyl-2-(2-aminopropyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-acetyl-2-(2-aminopropyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-acetyl-2-(2-aminopropyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(CC(C)N)sc1C(C)=O.
What is the InChIKey of ethyl 5-acetyl-2-(2-aminopropyl)-1,3-thiazole-4-carboxylate?
The InChIKey is KYBHZUZBLYZWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-4-16-11(15)9-10(7(3)14)17-8(13-9)5-6(2)12/h6H,4-5,12H2,1-3H3.
What are the key properties of ethyl 5-acetyl-2-(2-aminopropyl)-1,3-thiazole-4-carboxylate?
ethyl 5-acetyl-2-(2-aminopropyl)-1,3-thiazole-4-carboxylate has a molecular weight of 256.33 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetyl-2-(2-aminopropyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 107380163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).