methyl 2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanoate

C9H15N3O2S — CID 65208279

IUPACmethyl 2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)c1nnc(C)s1
InChIInChI=1S/C9H15N3O2S/c1-6(8(13)14-4)5-12(3)9-11-10-7(2)15-9/h6H,5H2,1-4H3
InChIKeyXQTXPIGRSKLUTB-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.09
Rot. Bonds4

About methyl 2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanoate

methyl 2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanoate (PubChem CID 65208279) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanoate
PubChem CID65208279
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Namemethyl 2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)c1nnc(C)s1
InChIInChI=1S/C9H15N3O2S/c1-6(8(13)14-4)5-12(3)9-11-10-7(2)15-9/h6H,5H2,1-4H3
InChIKeyXQTXPIGRSKLUTB-UHFFFAOYSA-N
XLogP1.09
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanoate (CID 65208279) is methyl 2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanoate is COC(=O)C(C)CN(C)c1nnc(C)s1.
What is the InChIKey of methyl 2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanoate?
The InChIKey is XQTXPIGRSKLUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-6(8(13)14-4)5-12(3)9-11-10-7(2)15-9/h6H,5H2,1-4H3.
What are the key properties of methyl 2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanoate?
methyl 2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanoate has a molecular weight of 229.30 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanoate is sourced from PubChem (CID 65208279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).