methyl 6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoate

C13H20N2O4S — CID 31840141

IUPACmethyl 6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C13H20N2O4S/c1-10-9-20-13(18)15(10)8-11(16)14-7-5-3-4-6-12(17)19-2/h9H,3-8H2,1-2H3,(H,14,16)
InChIKeyUTSKQPBDIZPTOK-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.07
Rot. Bonds8

About methyl 6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoate

methyl 6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoate (PubChem CID 31840141) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is methyl 6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoate
PubChem CID31840141
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Namemethyl 6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C13H20N2O4S/c1-10-9-20-13(18)15(10)8-11(16)14-7-5-3-4-6-12(17)19-2/h9H,3-8H2,1-2H3,(H,14,16)
InChIKeyUTSKQPBDIZPTOK-UHFFFAOYSA-N
XLogP1.07
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoate?
The IUPAC name of methyl 6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoate (CID 31840141) is methyl 6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoate.
What is the SMILES notation for methyl 6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoate?
The canonical SMILES for methyl 6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoate is COC(=O)CCCCCNC(=O)Cn1c(C)csc1=O.
What is the InChIKey of methyl 6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoate?
The InChIKey is UTSKQPBDIZPTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-10-9-20-13(18)15(10)8-11(16)14-7-5-3-4-6-12(17)19-2/h9H,3-8H2,1-2H3,(H,14,16).
What are the key properties of methyl 6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoate?
methyl 6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoate has a molecular weight of 300.38 g/mol, XLogP of 1.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoate is sourced from PubChem (CID 31840141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).