methyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoate

C10H16N2O2S — CID 61282778

IUPACmethyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoate
SMILESCOC(=O)C(C)CNCc1cnc(C)s1
InChIInChI=1S/C10H16N2O2S/c1-7(10(13)14-3)4-11-5-9-6-12-8(2)15-9/h6-7,11H,4-5H2,1-3H3
InChIKeyPBHKMFISHGQZIS-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.35
Rot. Bonds5

About methyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoate

methyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoate (PubChem CID 61282778) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is methyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoate
PubChem CID61282778
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Namemethyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoate
SMILESCOC(=O)C(C)CNCc1cnc(C)s1
InChIInChI=1S/C10H16N2O2S/c1-7(10(13)14-3)4-11-5-9-6-12-8(2)15-9/h6-7,11H,4-5H2,1-3H3
InChIKeyPBHKMFISHGQZIS-UHFFFAOYSA-N
XLogP1.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoate?
The IUPAC name of methyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoate (CID 61282778) is methyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoate is COC(=O)C(C)CNCc1cnc(C)s1.
What is the InChIKey of methyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoate?
The InChIKey is PBHKMFISHGQZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-7(10(13)14-3)4-11-5-9-6-12-8(2)15-9/h6-7,11H,4-5H2,1-3H3.
What are the key properties of methyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoate?
methyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoate has a molecular weight of 228.32 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoate is sourced from PubChem (CID 61282778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).