1-ethyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol

C9H14N2OS — CID 67481609

IUPAC1-ethyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol
SMILESCCN1CCC(O)C1c1nccs1
InChIInChI=1S/C9H14N2OS/c1-2-11-5-3-7(12)8(11)9-10-4-6-13-9/h4,6-8,12H,2-3,5H2,1H3
InChIKeyYTKJMYRPXJAAQT-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.27
Rot. Bonds2

About 1-ethyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol

1-ethyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol (PubChem CID 67481609) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-ethyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-ethyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol
PubChem CID67481609
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name1-ethyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol
SMILESCCN1CCC(O)C1c1nccs1
InChIInChI=1S/C9H14N2OS/c1-2-11-5-3-7(12)8(11)9-10-4-6-13-9/h4,6-8,12H,2-3,5H2,1H3
InChIKeyYTKJMYRPXJAAQT-UHFFFAOYSA-N
XLogP1.27
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol?
The IUPAC name of 1-ethyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol (CID 67481609) is 1-ethyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-ethyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-ethyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol is CCN1CCC(O)C1c1nccs1.
What is the InChIKey of 1-ethyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol?
The InChIKey is YTKJMYRPXJAAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-2-11-5-3-7(12)8(11)9-10-4-6-13-9/h4,6-8,12H,2-3,5H2,1H3.
What are the key properties of 1-ethyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol?
1-ethyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol has a molecular weight of 198.29 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 67481609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).