ethyl 2-(2-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate

C11H18N2O2S — CID 116527183

IUPACethyl 2-(2-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC(N)CC)sc1C
InChIInChI=1S/C11H18N2O2S/c1-4-8(12)6-9-13-10(7(3)16-9)11(14)15-5-2/h8H,4-6,12H2,1-3H3
InChIKeyMLHQCABBMBXTIN-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.91
Rot. Bonds5

About ethyl 2-(2-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate

ethyl 2-(2-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 116527183) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is ethyl 2-(2-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID116527183
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Nameethyl 2-(2-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC(N)CC)sc1C
InChIInChI=1S/C11H18N2O2S/c1-4-8(12)6-9-13-10(7(3)16-9)11(14)15-5-2/h8H,4-6,12H2,1-3H3
InChIKeyMLHQCABBMBXTIN-UHFFFAOYSA-N
XLogP1.91
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate
CID 116526179
ethyl 2-(2-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527168
ethyl 2-[(dimethylamino)methyl]-5-methyl-1,3-thiazole-4-carboxylate;oxalic acid
CID 166597361
ethyl 5-acetyl-2-(2-aminopropyl)-1,3-thiazole-4-carboxylate
CID 107380163
ethyl 2-chloro-5-methyl-1,3-thiazole-4-carboxylate
CID 53302340
ethane;ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate
CID 145143337
ethyl 2-(1-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527156
ethyl 5-methyl-2-(piperazin-1-ylmethyl)-1,3-thiazole-4-carboxylate
CID 116527186
ethyl 2-(3-aminopentan-3-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527160
ethyl 2-(diaminomethylideneamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 23545949
ethyl 2-[5-(4-methoxyphenyl)pentyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 161136638
methyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate
CID 115422950

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(2-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate (CID 116527183) is ethyl 2-(2-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(CC(N)CC)sc1C.
What is the InChIKey of ethyl 2-(2-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is MLHQCABBMBXTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-4-8(12)6-9-13-10(7(3)16-9)11(14)15-5-2/h8H,4-6,12H2,1-3H3.
What are the key properties of ethyl 2-(2-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate?
ethyl 2-(2-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 242.34 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 116527183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).