methyl 4-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoate

C13H22N2O2S — CID 43782295

IUPACmethyl 4-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(C)c1scnc1C
InChIInChI=1S/C13H22N2O2S/c1-8(2)6-11(13(16)17-5)15-10(4)12-9(3)14-7-18-12/h7-8,10-11,15H,6H2,1-5H3
InChIKeyMSKQXTCPBGZILI-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.69
Rot. Bonds6

About methyl 4-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoate

methyl 4-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoate (PubChem CID 43782295) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is methyl 4-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoate
PubChem CID43782295
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Namemethyl 4-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(C)c1scnc1C
InChIInChI=1S/C13H22N2O2S/c1-8(2)6-11(13(16)17-5)15-10(4)12-9(3)14-7-18-12/h7-8,10-11,15H,6H2,1-5H3
InChIKeyMSKQXTCPBGZILI-UHFFFAOYSA-N
XLogP2.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoate (CID 43782295) is methyl 4-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoate is COC(=O)C(CC(C)C)NC(C)c1scnc1C.
What is the InChIKey of methyl 4-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoate?
The InChIKey is MSKQXTCPBGZILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-8(2)6-11(13(16)17-5)15-10(4)12-9(3)14-7-18-12/h7-8,10-11,15H,6H2,1-5H3.
What are the key properties of methyl 4-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoate?
methyl 4-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoate has a molecular weight of 270.40 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoate is sourced from PubChem (CID 43782295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).