1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanone

C9H12N2OS — CID 62756912

IUPAC1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1cnc(N2CCCC2)s1
InChIInChI=1S/C9H12N2OS/c1-7(12)8-6-10-9(13-8)11-4-2-3-5-11/h6H,2-5H2,1H3
InChIKeyHSBVRKFFBXKQMY-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.95
Rot. Bonds2

About 1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanone

1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanone (PubChem CID 62756912) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanone
PubChem CID62756912
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1cnc(N2CCCC2)s1
InChIInChI=1S/C9H12N2OS/c1-7(12)8-6-10-9(13-8)11-4-2-3-5-11/h6H,2-5H2,1H3
InChIKeyHSBVRKFFBXKQMY-UHFFFAOYSA-N
XLogP1.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanone (CID 62756912) is 1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanone is CC(=O)c1cnc(N2CCCC2)s1.
What is the InChIKey of 1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanone?
The InChIKey is HSBVRKFFBXKQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-7(12)8-6-10-9(13-8)11-4-2-3-5-11/h6H,2-5H2,1H3.
What are the key properties of 1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanone?
1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanone has a molecular weight of 196.27 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 62756912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).