[1-[9H-fluoren-9-ylmethoxy(hydroxy)methyl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone

C23H26N2O3S — CID 123245289

IUPAC[1-[9H-fluoren-9-ylmethoxy(hydroxy)methyl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
SMILESO=C(C1CCCN1C(O)OCC1c2ccccc2-c2ccccc21)N1CCSC1
InChIInChI=1S/C23H26N2O3S/c26-22(24-12-13-29-15-24)21-10-5-11-25(21)23(27)28-14-20-18-8-3-1-6-16(18)17-7-2-4-9-19(17)20/h1-4,6-9,20-21,23,27H,5,10-15H2
InChIKeyRZMOZUXKMZRLFS-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.09
Rot. Bonds5

About [1-[9H-fluoren-9-ylmethoxy(hydroxy)methyl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone

[1-[9H-fluoren-9-ylmethoxy(hydroxy)methyl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone (PubChem CID 123245289) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is [1-[9H-fluoren-9-ylmethoxy(hydroxy)methyl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name[1-[9H-fluoren-9-ylmethoxy(hydroxy)methyl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
PubChem CID123245289
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Name[1-[9H-fluoren-9-ylmethoxy(hydroxy)methyl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
SMILESO=C(C1CCCN1C(O)OCC1c2ccccc2-c2ccccc21)N1CCSC1
InChIInChI=1S/C23H26N2O3S/c26-22(24-12-13-29-15-24)21-10-5-11-25(21)23(27)28-14-20-18-8-3-1-6-16(18)17-7-2-4-9-19(17)20/h1-4,6-9,20-21,23,27H,5,10-15H2
InChIKeyRZMOZUXKMZRLFS-UHFFFAOYSA-N
XLogP3.09
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-methyl-3-oxo-3-[2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione
CID 59940867
(2S)-1-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 96531841
1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 2756124
[(2S)-1-(1H-indene-2-carbonyl)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
CID 54381755
(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid
CID 96567444
1-(9H-fluoren-9-ylmethoxy)ethanol
CID 143514998
9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate
CID 58283098
9H-fluoren-9-ylmethyl 4-(1-hydroxyethyl)piperidine-1-carboxylate
CID 106837102
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)azepane-1-carboxylate
CID 130858128
cyclopentyl(1,3-thiazolidin-3-yl)methanone
CID 122331918
2-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]oxy-3-phenylpropanoic acid
CID 174237370

Frequently Asked Questions

What is the IUPAC name of [1-[9H-fluoren-9-ylmethoxy(hydroxy)methyl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone?
The IUPAC name of [1-[9H-fluoren-9-ylmethoxy(hydroxy)methyl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone (CID 123245289) is [1-[9H-fluoren-9-ylmethoxy(hydroxy)methyl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for [1-[9H-fluoren-9-ylmethoxy(hydroxy)methyl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for [1-[9H-fluoren-9-ylmethoxy(hydroxy)methyl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone is O=C(C1CCCN1C(O)OCC1c2ccccc2-c2ccccc21)N1CCSC1.
What is the InChIKey of [1-[9H-fluoren-9-ylmethoxy(hydroxy)methyl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone?
The InChIKey is RZMOZUXKMZRLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c26-22(24-12-13-29-15-24)21-10-5-11-25(21)23(27)28-14-20-18-8-3-1-6-16(18)17-7-2-4-9-19(17)20/h1-4,6-9,20-21,23,27H,5,10-15H2.
What are the key properties of [1-[9H-fluoren-9-ylmethoxy(hydroxy)methyl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone?
[1-[9H-fluoren-9-ylmethoxy(hydroxy)methyl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone has a molecular weight of 410.54 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[9H-fluoren-9-ylmethoxy(hydroxy)methyl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 123245289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).