methyl 2-methyl-3-[methyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoate

C11H16N2O3S — CID 55008025

IUPACmethyl 2-methyl-3-[methyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)C(=O)c1scnc1C
InChIInChI=1S/C11H16N2O3S/c1-7(11(15)16-4)5-13(3)10(14)9-8(2)12-6-17-9/h6-7H,5H2,1-4H3
InChIKeyAAUGBPOAYLAAEC-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.33
Rot. Bonds4

About methyl 2-methyl-3-[methyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoate

methyl 2-methyl-3-[methyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoate (PubChem CID 55008025) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoate
PubChem CID55008025
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Namemethyl 2-methyl-3-[methyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)C(=O)c1scnc1C
InChIInChI=1S/C11H16N2O3S/c1-7(11(15)16-4)5-13(3)10(14)9-8(2)12-6-17-9/h6-7H,5H2,1-4H3
InChIKeyAAUGBPOAYLAAEC-UHFFFAOYSA-N
XLogP1.33
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoate (CID 55008025) is methyl 2-methyl-3-[methyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoate is COC(=O)C(C)CN(C)C(=O)c1scnc1C.
What is the InChIKey of methyl 2-methyl-3-[methyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoate?
The InChIKey is AAUGBPOAYLAAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7(11(15)16-4)5-13(3)10(14)9-8(2)12-6-17-9/h6-7H,5H2,1-4H3.
What are the key properties of methyl 2-methyl-3-[methyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoate?
methyl 2-methyl-3-[methyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoate has a molecular weight of 256.33 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoate is sourced from PubChem (CID 55008025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).