1-[(4R)-4-[(3R)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone

C15H22N4O2S — CID 95606454

IUPAC1-[(4R)-4-[(3R)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone
SMILESCC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H](n2ccnc2C)C1
InChIInChI=1S/C15H22N4O2S/c1-11-16-5-7-18(11)13-4-3-6-17(8-13)15(21)14-9-22-10-19(14)12(2)20/h5,7,13-14H,3-4,6,8-10H2,1-2H3/t13-,14+/m1/s1
InChIKeyMVMJETVUTADWGI-KGLIPLIRSA-N
MW322.43 g/mol
LogP1.28
Rot. Bonds2

About 1-[(4R)-4-[(3R)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone

1-[(4R)-4-[(3R)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone (PubChem CID 95606454) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-[(4R)-4-[(3R)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(4R)-4-[(3R)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone
PubChem CID95606454
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name1-[(4R)-4-[(3R)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone
SMILESCC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H](n2ccnc2C)C1
InChIInChI=1S/C15H22N4O2S/c1-11-16-5-7-18(11)13-4-3-6-17(8-13)15(21)14-9-22-10-19(14)12(2)20/h5,7,13-14H,3-4,6,8-10H2,1-2H3/t13-,14+/m1/s1
InChIKeyMVMJETVUTADWGI-KGLIPLIRSA-N
XLogP1.28
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(4R)-4-[(3R)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-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

1-[(4R)-4-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone
CID 95281814
[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(2R)-1-methylsulfonylpyrrolidin-2-yl]methanone
CID 95606419
1-[(4S)-4-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone
CID 95290454
1-[(2S)-2-[(3S)-3-(2-ethylimidazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 95606561
1-[(2S)-2-[(3R)-3-(2-ethylimidazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 95606560
[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 95334679
(2,5-dimethylthiophen-3-yl)-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95326513
N-[(1R)-1-cyclopentyl-2-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 95327472
(4S)-1-cyclopentyl-4-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95336680
[(2S)-2,3-dihydro-1,4-benzoxathiin-2-yl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95329353
2-ethylsulfonyl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95350950
1-[4-(azepane-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone
CID 86776938

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-[(3R)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 1-[(4R)-4-[(3R)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone (CID 95606454) is 1-[(4R)-4-[(3R)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 1-[(4R)-4-[(3R)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 1-[(4R)-4-[(3R)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone is CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H](n2ccnc2C)C1.
What is the InChIKey of 1-[(4R)-4-[(3R)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is MVMJETVUTADWGI-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-11-16-5-7-18(11)13-4-3-6-17(8-13)15(21)14-9-22-10-19(14)12(2)20/h5,7,13-14H,3-4,6,8-10H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of 1-[(4R)-4-[(3R)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone?
1-[(4R)-4-[(3R)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 322.43 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-[(3R)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 95606454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).