1-[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

C16H23F2N3O2S — CID 125021453

IUPAC1-[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)cs1
InChIInChI=1S/C16H23F2N3O2S/c1-12-19-13(9-24-12)8-14(22)21-7-2-15(23,11-21)10-20-5-3-16(17,18)4-6-20/h9,23H,2-8,10-11H2,1H3/t15-/m1/s1
InChIKeyYJTUAOSKADTXAX-OAHLLOKOSA-N
MW359.44 g/mol
LogP1.69
Rot. Bonds4

About 1-[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

1-[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 125021453) has the molecular formula C16H23F2N3O2S and a molecular weight of 359.44 g/mol. Its IUPAC name is 1-[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID125021453
Molecular FormulaC16H23F2N3O2S
Molecular Weight359.44 g/mol
Exact Mass359.15
IUPAC Name1-[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)cs1
InChIInChI=1S/C16H23F2N3O2S/c1-12-19-13(9-24-12)8-14(22)21-7-2-15(23,11-21)10-20-5-3-16(17,18)4-6-20/h9,23H,2-8,10-11H2,1H3/t15-/m1/s1
InChIKeyYJTUAOSKADTXAX-OAHLLOKOSA-N
XLogP1.69
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide
CID 51099994
2-(2-Ethyl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 56819149
2-Methyl-4-{2-oxo-2-[2-(trifluoromethyl)-1-pyrrolidinyl]ethyl}-1,3-thiazole
CID 70735967
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 95870307
4,4,4-Trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 47803864
N,N-diethyl-1-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]piperidine-4-carboxamide
CID 56208613
4,4,4-Trifluoro-3-hydroxy-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)butan-1-one
CID 56246005
2-(2-Tert-butyl-1,3-thiazol-4-yl)-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 72002131
1-[4-[2,2-Difluoroethyl(methyl)amino]piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 72121131
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 95870306
2-(2-tert-butyl-1,3-thiazol-4-yl)-1-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 97979102
2-(2-tert-butyl-1,3-thiazol-4-yl)-1-[(3S)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 97979103

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 125021453) is 1-[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1nc(CC(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)cs1.
What is the InChIKey of 1-[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is YJTUAOSKADTXAX-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23F2N3O2S/c1-12-19-13(9-24-12)8-14(22)21-7-2-15(23,11-21)10-20-5-3-16(17,18)4-6-20/h9,23H,2-8,10-11H2,1H3/t15-/m1/s1.
What are the key properties of 1-[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 359.44 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 125021453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).