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

C14H24N2O2S — CID 43688890

IUPACmethyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(C)c1nc(C)sc1C
InChIInChI=1S/C14H24N2O2S/c1-8(2)7-12(14(17)18-6)15-9(3)13-10(4)19-11(5)16-13/h8-9,12,15H,7H2,1-6H3
InChIKeyJTSWGNGEXVVDFS-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.00
Rot. Bonds6

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

methyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-4-methylpentanoate (PubChem CID 43688890) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is methyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-4-methylpentanoate
PubChem CID43688890
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Namemethyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(C)c1nc(C)sc1C
InChIInChI=1S/C14H24N2O2S/c1-8(2)7-12(14(17)18-6)15-9(3)13-10(4)19-11(5)16-13/h8-9,12,15H,7H2,1-6H3
InChIKeyJTSWGNGEXVVDFS-UHFFFAOYSA-N
XLogP3.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-4-methylpentanoate?
The IUPAC name of methyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-4-methylpentanoate (CID 43688890) is methyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-4-methylpentanoate is COC(=O)C(CC(C)C)NC(C)c1nc(C)sc1C.
What is the InChIKey of methyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-4-methylpentanoate?
The InChIKey is JTSWGNGEXVVDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-8(2)7-12(14(17)18-6)15-9(3)13-10(4)19-11(5)16-13/h8-9,12,15H,7H2,1-6H3.
What are the key properties of methyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-4-methylpentanoate?
methyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-4-methylpentanoate has a molecular weight of 284.43 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-4-methylpentanoate is sourced from PubChem (CID 43688890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).