ethyl 2-(2-aminobutan-2-yl)-4-ethyl-1,3-thiazole-5-carboxylate

C12H20N2O2S — CID 104840664

IUPACethyl 2-(2-aminobutan-2-yl)-4-ethyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(C(C)(N)CC)nc1CC
InChIInChI=1S/C12H20N2O2S/c1-5-8-9(10(15)16-7-3)17-11(14-8)12(4,13)6-2/h5-7,13H2,1-4H3
InChIKeyGCYRNLBCNPFFQD-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.47
Rot. Bonds5

About ethyl 2-(2-aminobutan-2-yl)-4-ethyl-1,3-thiazole-5-carboxylate

ethyl 2-(2-aminobutan-2-yl)-4-ethyl-1,3-thiazole-5-carboxylate (PubChem CID 104840664) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is ethyl 2-(2-aminobutan-2-yl)-4-ethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-aminobutan-2-yl)-4-ethyl-1,3-thiazole-5-carboxylate
PubChem CID104840664
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Nameethyl 2-(2-aminobutan-2-yl)-4-ethyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(C(C)(N)CC)nc1CC
InChIInChI=1S/C12H20N2O2S/c1-5-8-9(10(15)16-7-3)17-11(14-8)12(4,13)6-2/h5-7,13H2,1-4H3
InChIKeyGCYRNLBCNPFFQD-UHFFFAOYSA-N
XLogP2.47
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-tert-butyl-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate
CID 69475996
ethyl 2-[(tert-butylamino)methyl]-4-ethyl-1,3-thiazole-5-carboxylate
CID 104840699
ethyl 2-(3-aminophenyl)-4-ethyl-1,3-thiazole-5-carboxylate
CID 104840726
2-tert-butyl-4-ethyl-1,3-thiazole-5-carboximidamide
CID 82429557
ethane;ethyl 4-(methoxymethyl)-2-methyl-1,3-thiazole-5-carboxylate
CID 143933499
ethyl 4-ethyl-2-piperidin-2-yl-1,3-thiazole-5-carboxylate
CID 113459519
ethyl 4-(2-ethoxy-2-oxoethyl)-2-iodo-1,3-thiazole-5-carboxylate
CID 69484699
ethyl 2-cyclopropyl-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate
CID 163219311
ethyl 5-(2-aminobutan-2-yl)-1H-1,2,4-triazole-3-carboxylate
CID 79790570
ethyl 4-(cyclopentylmethyl)-2-ethyl-1,3-thiazole-5-carboxylate
CID 69484821
ethyl 2-(3-aminopentan-3-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527160
ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 897799

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-aminobutan-2-yl)-4-ethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(2-aminobutan-2-yl)-4-ethyl-1,3-thiazole-5-carboxylate (CID 104840664) is ethyl 2-(2-aminobutan-2-yl)-4-ethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(2-aminobutan-2-yl)-4-ethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(2-aminobutan-2-yl)-4-ethyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(C(C)(N)CC)nc1CC.
What is the InChIKey of ethyl 2-(2-aminobutan-2-yl)-4-ethyl-1,3-thiazole-5-carboxylate?
The InChIKey is GCYRNLBCNPFFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-5-8-9(10(15)16-7-3)17-11(14-8)12(4,13)6-2/h5-7,13H2,1-4H3.
What are the key properties of ethyl 2-(2-aminobutan-2-yl)-4-ethyl-1,3-thiazole-5-carboxylate?
ethyl 2-(2-aminobutan-2-yl)-4-ethyl-1,3-thiazole-5-carboxylate has a molecular weight of 256.37 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-aminobutan-2-yl)-4-ethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 104840664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).