1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

C13H20N2O2S — CID 55076405

IUPAC1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)N2CCCC2CCCO)cs1
InChIInChI=1S/C13H20N2O2S/c1-10-14-11(9-18-10)8-13(17)15-6-2-4-12(15)5-3-7-16/h9,12,16H,2-8H2,1H3
InChIKeyJFKSAIWIIFNUCZ-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.76
Rot. Bonds5

About 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 55076405) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID55076405
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)N2CCCC2CCCO)cs1
InChIInChI=1S/C13H20N2O2S/c1-10-14-11(9-18-10)8-13(17)15-6-2-4-12(15)5-3-7-16/h9,12,16H,2-8H2,1H3
InChIKeyJFKSAIWIIFNUCZ-UHFFFAOYSA-N
XLogP1.76
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 55076405) is 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1nc(CC(=O)N2CCCC2CCCO)cs1.
What is the InChIKey of 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is JFKSAIWIIFNUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-14-11(9-18-10)8-13(17)15-6-2-4-12(15)5-3-7-16/h9,12,16H,2-8H2,1H3.
What are the key properties of 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 268.38 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 55076405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).