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

C11H18N2O2S — CID 116527156

IUPACethyl 2-(1-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCCC(N)c1nc(C(=O)OCC)c(C)s1
InChIInChI=1S/C11H18N2O2S/c1-4-6-8(12)10-13-9(7(3)16-10)11(14)15-5-2/h8H,4-6,12H2,1-3H3
InChIKeyRNPRXKOOPPNZPS-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.43
Rot. Bonds5

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

ethyl 2-(1-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 116527156) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is ethyl 2-(1-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID116527156
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Nameethyl 2-(1-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCCC(N)c1nc(C(=O)OCC)c(C)s1
InChIInChI=1S/C11H18N2O2S/c1-4-6-8(12)10-13-9(7(3)16-10)11(14)15-5-2/h8H,4-6,12H2,1-3H3
InChIKeyRNPRXKOOPPNZPS-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[cyclopropyl(methoxy)methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 116705209
ethyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate
CID 116526179
ethyl 2-(2-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527183
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-(3-aminopentan-3-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527160
ethyl 5-(1-aminobutyl)-2H-triazole-4-carboxylate
CID 165462436
ethyl 2-[cyclohexyl(methoxy)methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 116744481
ethyl 5-methyl-2-pyridin-4-yl-1,3-thiazole-4-carboxylate
CID 112693784
methyl 2-(1-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422024
ethyl 5-methyl-2-[methyl(4-methylpentan-2-yl)amino]-1,3-thiazole-4-carboxylate
CID 116526729
ethyl 2-(heptan-2-ylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526761

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(1-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate (CID 116527156) is ethyl 2-(1-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(1-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(1-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate is CCCC(N)c1nc(C(=O)OCC)c(C)s1.
What is the InChIKey of ethyl 2-(1-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is RNPRXKOOPPNZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-4-6-8(12)10-13-9(7(3)16-10)11(14)15-5-2/h8H,4-6,12H2,1-3H3.
What are the key properties of ethyl 2-(1-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate?
ethyl 2-(1-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 242.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 116527156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).