methyl 3-[2-[(2,3-dimethyloxolan-3-yl)amino]-1,3-thiazol-4-yl]propanoate

C13H20N2O3S — CID 114096870

IUPACmethyl 3-[2-[(2,3-dimethyloxolan-3-yl)amino]-1,3-thiazol-4-yl]propanoate
SMILESCOC(=O)CCc1csc(NC2(C)CCOC2C)n1
InChIInChI=1S/C13H20N2O3S/c1-9-13(2,6-7-18-9)15-12-14-10(8-19-12)4-5-11(16)17-3/h8-9H,4-7H2,1-3H3,(H,14,15)
InChIKeyHSSBZVIMBMMYNJ-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.23
Rot. Bonds5

About methyl 3-[2-[(2,3-dimethyloxolan-3-yl)amino]-1,3-thiazol-4-yl]propanoate

methyl 3-[2-[(2,3-dimethyloxolan-3-yl)amino]-1,3-thiazol-4-yl]propanoate (PubChem CID 114096870) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is methyl 3-[2-[(2,3-dimethyloxolan-3-yl)amino]-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-[(2,3-dimethyloxolan-3-yl)amino]-1,3-thiazol-4-yl]propanoate
PubChem CID114096870
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Namemethyl 3-[2-[(2,3-dimethyloxolan-3-yl)amino]-1,3-thiazol-4-yl]propanoate
SMILESCOC(=O)CCc1csc(NC2(C)CCOC2C)n1
InChIInChI=1S/C13H20N2O3S/c1-9-13(2,6-7-18-9)15-12-14-10(8-19-12)4-5-11(16)17-3/h8-9H,4-7H2,1-3H3,(H,14,15)
InChIKeyHSSBZVIMBMMYNJ-UHFFFAOYSA-N
XLogP2.23
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[(2,3-dimethyloxolan-3-yl)amino]-1,3-thiazol-4-yl]propanoate?
The IUPAC name of methyl 3-[2-[(2,3-dimethyloxolan-3-yl)amino]-1,3-thiazol-4-yl]propanoate (CID 114096870) is methyl 3-[2-[(2,3-dimethyloxolan-3-yl)amino]-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[2-[(2,3-dimethyloxolan-3-yl)amino]-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[2-[(2,3-dimethyloxolan-3-yl)amino]-1,3-thiazol-4-yl]propanoate is COC(=O)CCc1csc(NC2(C)CCOC2C)n1.
What is the InChIKey of methyl 3-[2-[(2,3-dimethyloxolan-3-yl)amino]-1,3-thiazol-4-yl]propanoate?
The InChIKey is HSSBZVIMBMMYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-13(2,6-7-18-9)15-12-14-10(8-19-12)4-5-11(16)17-3/h8-9H,4-7H2,1-3H3,(H,14,15).
What are the key properties of methyl 3-[2-[(2,3-dimethyloxolan-3-yl)amino]-1,3-thiazol-4-yl]propanoate?
methyl 3-[2-[(2,3-dimethyloxolan-3-yl)amino]-1,3-thiazol-4-yl]propanoate has a molecular weight of 284.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[(2,3-dimethyloxolan-3-yl)amino]-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 114096870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).