2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone

C20H24N2OS — CID 95769941

IUPAC2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESCc1csc([C@@H]2CCCCN2C(=O)C[C@H]2CCc3ccccc32)n1
InChIInChI=1S/C20H24N2OS/c1-14-13-24-20(21-14)18-8-4-5-11-22(18)19(23)12-16-10-9-15-6-2-3-7-17(15)16/h2-3,6-7,13,16,18H,4-5,8-12H2,1H3/t16-,18+/m1/s1
InChIKeyHQTWPCIYSFRWBY-AEFFLSMTSA-N
MW340.49 g/mol
LogP4.63
Rot. Bonds3

About 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone

2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 95769941) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID95769941
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESCc1csc([C@@H]2CCCCN2C(=O)C[C@H]2CCc3ccccc32)n1
InChIInChI=1S/C20H24N2OS/c1-14-13-24-20(21-14)18-8-4-5-11-22(18)19(23)12-16-10-9-15-6-2-3-7-17(15)16/h2-3,6-7,13,16,18H,4-5,8-12H2,1H3/t16-,18+/m1/s1
InChIKeyHQTWPCIYSFRWBY-AEFFLSMTSA-N
XLogP4.63
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95762464
2-[(2R)-1-acetylpiperidin-2-yl]-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95762466
1-[3-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 95762367
2-[benzyl(methyl)amino]-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95762430
2-[cyclopropyl(methyl)amino]-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95780512
6-methyl-2-[2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 95762482
2-(3-fluorophenyl)-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95735012
(5-methylfuran-2-yl)-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95762285
[2-(methoxymethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95762073
(1-methylpyrrol-2-yl)-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768314
[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95762306
1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[[(2S)-oxolan-2-yl]methoxy]propan-1-one
CID 95762384

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone (CID 95769941) is 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone is Cc1csc([C@@H]2CCCCN2C(=O)C[C@H]2CCc3ccccc32)n1.
What is the InChIKey of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is HQTWPCIYSFRWBY-AEFFLSMTSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-14-13-24-20(21-14)18-8-4-5-11-22(18)19(23)12-16-10-9-15-6-2-3-7-17(15)16/h2-3,6-7,13,16,18H,4-5,8-12H2,1H3/t16-,18+/m1/s1.
What are the key properties of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 340.49 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95769941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).