(4R)-3-[(4R)-3-[2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetyl]-1,3-thiazolidine-4-carbonyl]-1,3-thiazolidine-4-carbaldehyde

C20H24N2O3S2 — CID 10453899

IUPAC(4R)-3-[(4R)-3-[2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetyl]-1,3-thiazolidine-4-carbonyl]-1,3-thiazolidine-4-carbaldehyde
SMILESO=C[C@@H]1CSCN1C(=O)[C@@H]1CSCN1C(=O)C[C@H]1CCc2ccccc2C1
InChIInChI=1S/C20H24N2O3S2/c23-9-17-10-26-12-21(17)20(25)18-11-27-13-22(18)19(24)8-14-5-6-15-3-1-2-4-16(15)7-14/h1-4,9,14,17-18H,5-8,10-13H2/t14-,17+,18-/m0/s1
InChIKeyXQPDOJIXUPYASU-QGTPRVQTSA-N
MW404.56 g/mol
LogP2.18
Rot. Bonds4

About (4R)-3-[(4R)-3-[2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetyl]-1,3-thiazolidine-4-carbonyl]-1,3-thiazolidine-4-carbaldehyde

(4R)-3-[(4R)-3-[2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetyl]-1,3-thiazolidine-4-carbonyl]-1,3-thiazolidine-4-carbaldehyde (PubChem CID 10453899) has the molecular formula C20H24N2O3S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is (4R)-3-[(4R)-3-[2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetyl]-1,3-thiazolidine-4-carbonyl]-1,3-thiazolidine-4-carbaldehyde.

Molecular Properties

Compound Name(4R)-3-[(4R)-3-[2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetyl]-1,3-thiazolidine-4-carbonyl]-1,3-thiazolidine-4-carbaldehyde
PubChem CID10453899
Molecular FormulaC20H24N2O3S2
Molecular Weight404.56 g/mol
Exact Mass404.12
IUPAC Name(4R)-3-[(4R)-3-[2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetyl]-1,3-thiazolidine-4-carbonyl]-1,3-thiazolidine-4-carbaldehyde
SMILESO=C[C@@H]1CSCN1C(=O)[C@@H]1CSCN1C(=O)C[C@H]1CCc2ccccc2C1
InChIInChI=1S/C20H24N2O3S2/c23-9-17-10-26-12-21(17)20(25)18-11-27-13-22(18)19(24)8-14-5-6-15-3-1-2-4-16(15)7-14/h1-4,9,14,17-18H,5-8,10-13H2/t14-,17+,18-/m0/s1
InChIKeyXQPDOJIXUPYASU-QGTPRVQTSA-N
XLogP2.18
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(4R)-3-[2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetyl]-1,3-thiazolidine-4-carbonyl]-1,3-thiazolidine-4-carbaldehyde?
The IUPAC name of (4R)-3-[(4R)-3-[2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetyl]-1,3-thiazolidine-4-carbonyl]-1,3-thiazolidine-4-carbaldehyde (CID 10453899) is (4R)-3-[(4R)-3-[2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetyl]-1,3-thiazolidine-4-carbonyl]-1,3-thiazolidine-4-carbaldehyde.
What is the SMILES notation for (4R)-3-[(4R)-3-[2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetyl]-1,3-thiazolidine-4-carbonyl]-1,3-thiazolidine-4-carbaldehyde?
The canonical SMILES for (4R)-3-[(4R)-3-[2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetyl]-1,3-thiazolidine-4-carbonyl]-1,3-thiazolidine-4-carbaldehyde is O=C[C@@H]1CSCN1C(=O)[C@@H]1CSCN1C(=O)C[C@H]1CCc2ccccc2C1.
What is the InChIKey of (4R)-3-[(4R)-3-[2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetyl]-1,3-thiazolidine-4-carbonyl]-1,3-thiazolidine-4-carbaldehyde?
The InChIKey is XQPDOJIXUPYASU-QGTPRVQTSA-N. The full InChI is InChI=1S/C20H24N2O3S2/c23-9-17-10-26-12-21(17)20(25)18-11-27-13-22(18)19(24)8-14-5-6-15-3-1-2-4-16(15)7-14/h1-4,9,14,17-18H,5-8,10-13H2/t14-,17+,18-/m0/s1.
What are the key properties of (4R)-3-[(4R)-3-[2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetyl]-1,3-thiazolidine-4-carbonyl]-1,3-thiazolidine-4-carbaldehyde?
(4R)-3-[(4R)-3-[2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetyl]-1,3-thiazolidine-4-carbonyl]-1,3-thiazolidine-4-carbaldehyde has a molecular weight of 404.56 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(4R)-3-[2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetyl]-1,3-thiazolidine-4-carbonyl]-1,3-thiazolidine-4-carbaldehyde is sourced from PubChem (CID 10453899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).