1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanol

C13H21N3O2S — CID 64543603

IUPAC1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(N2CCC(N3CCOCC3)C2)n1
InChIInChI=1S/C13H21N3O2S/c1-10(17)12-9-19-13(14-12)16-3-2-11(8-16)15-4-6-18-7-5-15/h9-11,17H,2-8H2,1H3
InChIKeyGEUDXVCRGBBHFM-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.11
Rot. Bonds3

About 1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanol

1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanol (PubChem CID 64543603) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanol
PubChem CID64543603
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(N2CCC(N3CCOCC3)C2)n1
InChIInChI=1S/C13H21N3O2S/c1-10(17)12-9-19-13(14-12)16-3-2-11(8-16)15-4-6-18-7-5-15/h9-11,17H,2-8H2,1H3
InChIKeyGEUDXVCRGBBHFM-UHFFFAOYSA-N
XLogP1.11
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanol (CID 64543603) is 1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanol is CC(O)c1csc(N2CCC(N3CCOCC3)C2)n1.
What is the InChIKey of 1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanol?
The InChIKey is GEUDXVCRGBBHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10(17)12-9-19-13(14-12)16-3-2-11(8-16)15-4-6-18-7-5-15/h9-11,17H,2-8H2,1H3.
What are the key properties of 1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanol?
1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanol has a molecular weight of 283.40 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 64543603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).