methyl 2-[2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate

C11H16N2O2S — CID 80574515

IUPACmethyl 2-[2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(N2CCC(C)C2)n1
InChIInChI=1S/C11H16N2O2S/c1-8-3-4-13(6-8)11-12-9(7-16-11)5-10(14)15-2/h7-8H,3-6H2,1-2H3
InChIKeyFKJBKICALRXGQB-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.70
Rot. Bonds3

About methyl 2-[2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate

methyl 2-[2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate (PubChem CID 80574515) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is methyl 2-[2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
PubChem CID80574515
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Namemethyl 2-[2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(N2CCC(C)C2)n1
InChIInChI=1S/C11H16N2O2S/c1-8-3-4-13(6-8)11-12-9(7-16-11)5-10(14)15-2/h7-8H,3-6H2,1-2H3
InChIKeyFKJBKICALRXGQB-UHFFFAOYSA-N
XLogP1.70
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate (CID 80574515) is methyl 2-[2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(N2CCC(C)C2)n1.
What is the InChIKey of methyl 2-[2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate?
The InChIKey is FKJBKICALRXGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8-3-4-13(6-8)11-12-9(7-16-11)5-10(14)15-2/h7-8H,3-6H2,1-2H3.
What are the key properties of methyl 2-[2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate?
methyl 2-[2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate has a molecular weight of 240.33 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80574515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).