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

C12H20N2O2S — CID 70041979

IUPACethyl 2-(2-aminopentyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCCC(N)Cc1nc(C)c(C(=O)OCC)s1
InChIInChI=1S/C12H20N2O2S/c1-4-6-9(13)7-10-14-8(3)11(17-10)12(15)16-5-2/h9H,4-7,13H2,1-3H3
InChIKeyGIEVXJXYUKBQEQ-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.30
Rot. Bonds6

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

ethyl 2-(2-aminopentyl)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 70041979) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is ethyl 2-(2-aminopentyl)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-aminopentyl)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID70041979
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Nameethyl 2-(2-aminopentyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCCC(N)Cc1nc(C)c(C(=O)OCC)s1
InChIInChI=1S/C12H20N2O2S/c1-4-6-9(13)7-10-14-8(3)11(17-10)12(15)16-5-2/h9H,4-7,13H2,1-3H3
InChIKeyGIEVXJXYUKBQEQ-UHFFFAOYSA-N
XLogP2.30
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-aminopentyl)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(2-aminopentyl)-4-methyl-1,3-thiazole-5-carboxylate (CID 70041979) is ethyl 2-(2-aminopentyl)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(2-aminopentyl)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(2-aminopentyl)-4-methyl-1,3-thiazole-5-carboxylate is CCCC(N)Cc1nc(C)c(C(=O)OCC)s1.
What is the InChIKey of ethyl 2-(2-aminopentyl)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is GIEVXJXYUKBQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-6-9(13)7-10-14-8(3)11(17-10)12(15)16-5-2/h9H,4-7,13H2,1-3H3.
What are the key properties of ethyl 2-(2-aminopentyl)-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-(2-aminopentyl)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 256.37 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-aminopentyl)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 70041979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).