1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]-2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone

C20H26N2O2S — CID 10428499

IUPAC1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]-2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone
SMILESO=C([C@@H]1CSCN1C(=O)C[C@@H]1CCc2ccccc2C1)N1CCCC1
InChIInChI=1S/C20H26N2O2S/c23-19(12-15-7-8-16-5-1-2-6-17(16)11-15)22-14-25-13-18(22)20(24)21-9-3-4-10-21/h1-2,5-6,15,18H,3-4,7-14H2/t15-,18+/m1/s1
InChIKeySARANMZOEFGESB-QAPCUYQASA-N
MW358.51 g/mol
LogP2.71
Rot. Bonds3

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

1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]-2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone (PubChem CID 10428499) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]-2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone.

Molecular Properties

Compound Name1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]-2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone
PubChem CID10428499
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]-2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone
SMILESO=C([C@@H]1CSCN1C(=O)C[C@@H]1CCc2ccccc2C1)N1CCCC1
InChIInChI=1S/C20H26N2O2S/c23-19(12-15-7-8-16-5-1-2-6-17(16)11-15)22-14-25-13-18(22)20(24)21-9-3-4-10-21/h1-2,5-6,15,18H,3-4,7-14H2/t15-,18+/m1/s1
InChIKeySARANMZOEFGESB-QAPCUYQASA-N
XLogP2.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]-2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone?
The IUPAC name of 1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]-2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone (CID 10428499) is 1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]-2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone.
What is the SMILES notation for 1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]-2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone?
The canonical SMILES for 1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]-2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone is O=C([C@@H]1CSCN1C(=O)C[C@@H]1CCc2ccccc2C1)N1CCCC1.
What is the InChIKey of 1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]-2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone?
The InChIKey is SARANMZOEFGESB-QAPCUYQASA-N. The full InChI is InChI=1S/C20H26N2O2S/c23-19(12-15-7-8-16-5-1-2-6-17(16)11-15)22-14-25-13-18(22)20(24)21-9-3-4-10-21/h1-2,5-6,15,18H,3-4,7-14H2/t15-,18+/m1/s1.
What are the key properties of 1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]-2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone?
1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]-2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone has a molecular weight of 358.51 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]-2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone is sourced from PubChem (CID 10428499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).