ethyl 2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxylate

C11H16N2O3S — CID 90291460

IUPACethyl 2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N2CC[C@@H](OC)C2)n1
InChIInChI=1S/C11H16N2O3S/c1-3-16-10(14)9-7-17-11(12-9)13-5-4-8(6-13)15-2/h7-8H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyJDUQQTATJSVHSJ-MRVPVSSYSA-N
MW256.33 g/mol
LogP1.54
Rot. Bonds4

About ethyl 2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxylate

ethyl 2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxylate (PubChem CID 90291460) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is ethyl 2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxylate
PubChem CID90291460
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Nameethyl 2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N2CC[C@@H](OC)C2)n1
InChIInChI=1S/C11H16N2O3S/c1-3-16-10(14)9-7-17-11(12-9)13-5-4-8(6-13)15-2/h7-8H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyJDUQQTATJSVHSJ-MRVPVSSYSA-N
XLogP1.54
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxylate (CID 90291460) is ethyl 2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(N2CC[C@@H](OC)C2)n1.
What is the InChIKey of ethyl 2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxylate?
The InChIKey is JDUQQTATJSVHSJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-3-16-10(14)9-7-17-11(12-9)13-5-4-8(6-13)15-2/h7-8H,3-6H2,1-2H3/t8-/m1/s1.
What are the key properties of ethyl 2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxylate?
ethyl 2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 256.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 90291460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).