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

C10H14N2OS — CID 116570016

IUPAC1-(3-methylpyrrolidin-3-yl)-2-(1,3-thiazol-5-yl)ethanone
SMILESCC1(C(=O)Cc2cncs2)CCNC1
InChIInChI=1S/C10H14N2OS/c1-10(2-3-11-6-10)9(13)4-8-5-12-7-14-8/h5,7,11H,2-4,6H2,1H3
InChIKeyFGCJMQKDLZTWLX-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.25
Rot. Bonds3

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

1-(3-methylpyrrolidin-3-yl)-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 116570016) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-(3-methylpyrrolidin-3-yl)-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-methylpyrrolidin-3-yl)-2-(1,3-thiazol-5-yl)ethanone
PubChem CID116570016
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name1-(3-methylpyrrolidin-3-yl)-2-(1,3-thiazol-5-yl)ethanone
SMILESCC1(C(=O)Cc2cncs2)CCNC1
InChIInChI=1S/C10H14N2OS/c1-10(2-3-11-6-10)9(13)4-8-5-12-7-14-8/h5,7,11H,2-4,6H2,1H3
InChIKeyFGCJMQKDLZTWLX-UHFFFAOYSA-N
XLogP1.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642434
1-(3-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone
CID 116569911
2-(5-ethylthiophen-2-yl)-1-(3-methylpyrrolidin-3-yl)ethanone
CID 116570139
1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone
CID 107004005
5-[(3-methylazetidin-3-yl)methyl]-1,3-thiazole
CID 112645456
2-(5-ethylthiophen-2-yl)-1-(4-methylpiperidin-4-yl)ethanone
CID 116567731
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-methylpyrrolidin-3-yl)ethanone
CID 116570045
1-(3-methylpyrrolidin-3-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 116570100
2-(2,5-dimethylphenyl)-1-(3-methylpyrrolidin-3-yl)ethanone
CID 116570098
1-(3-methylpyrrolidin-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanone
CID 116570155
1-[1-(4-aminophenyl)cyclopropyl]-2-(1,3-thiazol-5-yl)ethanone
CID 116611743
2-(4-amino-3-pyridinyl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569400

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpyrrolidin-3-yl)-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(3-methylpyrrolidin-3-yl)-2-(1,3-thiazol-5-yl)ethanone (CID 116570016) is 1-(3-methylpyrrolidin-3-yl)-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-methylpyrrolidin-3-yl)-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(3-methylpyrrolidin-3-yl)-2-(1,3-thiazol-5-yl)ethanone is CC1(C(=O)Cc2cncs2)CCNC1.
What is the InChIKey of 1-(3-methylpyrrolidin-3-yl)-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is FGCJMQKDLZTWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-10(2-3-11-6-10)9(13)4-8-5-12-7-14-8/h5,7,11H,2-4,6H2,1H3.
What are the key properties of 1-(3-methylpyrrolidin-3-yl)-2-(1,3-thiazol-5-yl)ethanone?
1-(3-methylpyrrolidin-3-yl)-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 210.30 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpyrrolidin-3-yl)-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 116570016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).