2-[2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone

C17H20N2OS — CID 62755289

IUPAC2-[2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone
SMILESCCC1CCCN1c1nc(CC(=O)c2ccccc2)cs1
InChIInChI=1S/C17H20N2OS/c1-2-15-9-6-10-19(15)17-18-14(12-21-17)11-16(20)13-7-4-3-5-8-13/h3-5,7-8,12,15H,2,6,9-11H2,1H3
InChIKeyYFOALAIJRMYWMW-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.95
Rot. Bonds5

About 2-[2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone

2-[2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone (PubChem CID 62755289) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-[2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone
PubChem CID62755289
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-[2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone
SMILESCCC1CCCN1c1nc(CC(=O)c2ccccc2)cs1
InChIInChI=1S/C17H20N2OS/c1-2-15-9-6-10-19(15)17-18-14(12-21-17)11-16(20)13-7-4-3-5-8-13/h3-5,7-8,12,15H,2,6,9-11H2,1H3
InChIKeyYFOALAIJRMYWMW-UHFFFAOYSA-N
XLogP3.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone?
The IUPAC name of 2-[2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone (CID 62755289) is 2-[2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone.
What is the SMILES notation for 2-[2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone?
The canonical SMILES for 2-[2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone is CCC1CCCN1c1nc(CC(=O)c2ccccc2)cs1.
What is the InChIKey of 2-[2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone?
The InChIKey is YFOALAIJRMYWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-2-15-9-6-10-19(15)17-18-14(12-21-17)11-16(20)13-7-4-3-5-8-13/h3-5,7-8,12,15H,2,6,9-11H2,1H3.
What are the key properties of 2-[2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone?
2-[2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone has a molecular weight of 300.43 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone is sourced from PubChem (CID 62755289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).