methyl 2-(2-cyclopentyl-1,3-thiazol-4-yl)butanoate

C13H19NO2S — CID 116891448

IUPACmethyl 2-(2-cyclopentyl-1,3-thiazol-4-yl)butanoate
SMILESCCC(C(=O)OC)c1csc(C2CCCC2)n1
InChIInChI=1S/C13H19NO2S/c1-3-10(13(15)16-2)11-8-17-12(14-11)9-6-4-5-7-9/h8-10H,3-7H2,1-2H3
InChIKeyGNEYLZXIEUQEPA-UHFFFAOYSA-N
MW253.37 g/mol
LogP3.47
Rot. Bonds4

About methyl 2-(2-cyclopentyl-1,3-thiazol-4-yl)butanoate

methyl 2-(2-cyclopentyl-1,3-thiazol-4-yl)butanoate (PubChem CID 116891448) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is methyl 2-(2-cyclopentyl-1,3-thiazol-4-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-(2-cyclopentyl-1,3-thiazol-4-yl)butanoate
PubChem CID116891448
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Namemethyl 2-(2-cyclopentyl-1,3-thiazol-4-yl)butanoate
SMILESCCC(C(=O)OC)c1csc(C2CCCC2)n1
InChIInChI=1S/C13H19NO2S/c1-3-10(13(15)16-2)11-8-17-12(14-11)9-6-4-5-7-9/h8-10H,3-7H2,1-2H3
InChIKeyGNEYLZXIEUQEPA-UHFFFAOYSA-N
XLogP3.47
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-cyclopentyl-1,3-thiazol-4-yl)butanoate?
The IUPAC name of methyl 2-(2-cyclopentyl-1,3-thiazol-4-yl)butanoate (CID 116891448) is methyl 2-(2-cyclopentyl-1,3-thiazol-4-yl)butanoate.
What is the SMILES notation for methyl 2-(2-cyclopentyl-1,3-thiazol-4-yl)butanoate?
The canonical SMILES for methyl 2-(2-cyclopentyl-1,3-thiazol-4-yl)butanoate is CCC(C(=O)OC)c1csc(C2CCCC2)n1.
What is the InChIKey of methyl 2-(2-cyclopentyl-1,3-thiazol-4-yl)butanoate?
The InChIKey is GNEYLZXIEUQEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-3-10(13(15)16-2)11-8-17-12(14-11)9-6-4-5-7-9/h8-10H,3-7H2,1-2H3.
What are the key properties of methyl 2-(2-cyclopentyl-1,3-thiazol-4-yl)butanoate?
methyl 2-(2-cyclopentyl-1,3-thiazol-4-yl)butanoate has a molecular weight of 253.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-cyclopentyl-1,3-thiazol-4-yl)butanoate is sourced from PubChem (CID 116891448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).