[(4R)-3-benzoyl-1,3-thiazolidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone

C17H22N2O2S — CID 97023493

IUPAC[(4R)-3-benzoyl-1,3-thiazolidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCCCN1C(=O)[C@@H]1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C17H22N2O2S/c1-13-7-5-6-10-18(13)17(21)15-11-22-12-19(15)16(20)14-8-3-2-4-9-14/h2-4,8-9,13,15H,5-7,10-12H2,1H3/t13-,15+/m1/s1
InChIKeyMOEYANLDVZFUAV-HIFRSBDPSA-N
MW318.44 g/mol
LogP2.60
Rot. Bonds2

About [(4R)-3-benzoyl-1,3-thiazolidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone

[(4R)-3-benzoyl-1,3-thiazolidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone (PubChem CID 97023493) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is [(4R)-3-benzoyl-1,3-thiazolidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[(4R)-3-benzoyl-1,3-thiazolidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
PubChem CID97023493
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name[(4R)-3-benzoyl-1,3-thiazolidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCCCN1C(=O)[C@@H]1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C17H22N2O2S/c1-13-7-5-6-10-18(13)17(21)15-11-22-12-19(15)16(20)14-8-3-2-4-9-14/h2-4,8-9,13,15H,5-7,10-12H2,1H3/t13-,15+/m1/s1
InChIKeyMOEYANLDVZFUAV-HIFRSBDPSA-N
XLogP2.60
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(4R)-3-benzoyl-1,3-thiazolidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The IUPAC name of [(4R)-3-benzoyl-1,3-thiazolidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone (CID 97023493) is [(4R)-3-benzoyl-1,3-thiazolidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [(4R)-3-benzoyl-1,3-thiazolidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for [(4R)-3-benzoyl-1,3-thiazolidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone is C[C@@H]1CCCCN1C(=O)[C@@H]1CSCN1C(=O)c1ccccc1.
What is the InChIKey of [(4R)-3-benzoyl-1,3-thiazolidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The InChIKey is MOEYANLDVZFUAV-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-13-7-5-6-10-18(13)17(21)15-11-22-12-19(15)16(20)14-8-3-2-4-9-14/h2-4,8-9,13,15H,5-7,10-12H2,1H3/t13-,15+/m1/s1.
What are the key properties of [(4R)-3-benzoyl-1,3-thiazolidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
[(4R)-3-benzoyl-1,3-thiazolidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone has a molecular weight of 318.44 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-3-benzoyl-1,3-thiazolidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 97023493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).