methyl 2-methyl-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoate

C13H20N2O3S — CID 43431437

IUPACmethyl 2-methyl-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoate
SMILESCCCC(C)(NC(=O)Cc1csc(C)n1)C(=O)OC
InChIInChI=1S/C13H20N2O3S/c1-5-6-13(3,12(17)18-4)15-11(16)7-10-8-19-9(2)14-10/h8H,5-7H2,1-4H3,(H,15,16)
InChIKeyJTSOINQMGJSSQL-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.84
Rot. Bonds6

About methyl 2-methyl-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoate

methyl 2-methyl-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoate (PubChem CID 43431437) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is methyl 2-methyl-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoate
PubChem CID43431437
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Namemethyl 2-methyl-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoate
SMILESCCCC(C)(NC(=O)Cc1csc(C)n1)C(=O)OC
InChIInChI=1S/C13H20N2O3S/c1-5-6-13(3,12(17)18-4)15-11(16)7-10-8-19-9(2)14-10/h8H,5-7H2,1-4H3,(H,15,16)
InChIKeyJTSOINQMGJSSQL-UHFFFAOYSA-N
XLogP1.84
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60716850
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-2-methylpentanoate
CID 43423685
diethyl 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanedioate
CID 43409386
3-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one
CID 116708071
methyl 2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoate
CID 62388212
methyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-methylpentanoate
CID 43423692
N-(2,2-dimethoxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463239
2,2-dimethyl-5-[2-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]hydrazinyl]-5-oxopentanoic acid
CID 166385996
methyl 2-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methylpentanoate
CID 61399994
3-ethyl-3-methoxy-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one
CID 116747467
1-ethyl-3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiourea
CID 8746565
methyl 2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]pentanoate
CID 79769737

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoate?
The IUPAC name of methyl 2-methyl-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoate (CID 43431437) is methyl 2-methyl-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoate.
What is the SMILES notation for methyl 2-methyl-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoate?
The canonical SMILES for methyl 2-methyl-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoate is CCCC(C)(NC(=O)Cc1csc(C)n1)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoate?
The InChIKey is JTSOINQMGJSSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-5-6-13(3,12(17)18-4)15-11(16)7-10-8-19-9(2)14-10/h8H,5-7H2,1-4H3,(H,15,16).
What are the key properties of methyl 2-methyl-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoate?
methyl 2-methyl-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoate has a molecular weight of 284.38 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoate is sourced from PubChem (CID 43431437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).