(2S,4R)-3-benzyl-2,4,5,5-tetraphenyl-1,3-thiazolidine

C34H29NS — CID 124865393

IUPAC(2S,4R)-3-benzyl-2,4,5,5-tetraphenyl-1,3-thiazolidine
SMILESc1ccc(CN2[C@H](c3ccccc3)SC(c3ccccc3)(c3ccccc3)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C34H29NS/c1-6-16-27(17-7-1)26-35-32(28-18-8-2-9-19-28)34(30-22-12-4-13-23-30,31-24-14-5-15-25-31)36-33(35)29-20-10-3-11-21-29/h1-25,32-33H,26H2/t32-,33+/m1/s1
InChIKeyLZBMMFQTIDLMFA-SAIUNTKASA-N
MW483.68 g/mol
LogP8.62
Rot. Bonds6

About (2S,4R)-3-benzyl-2,4,5,5-tetraphenyl-1,3-thiazolidine

(2S,4R)-3-benzyl-2,4,5,5-tetraphenyl-1,3-thiazolidine (PubChem CID 124865393) has the molecular formula C34H29NS and a molecular weight of 483.68 g/mol. Its IUPAC name is (2S,4R)-3-benzyl-2,4,5,5-tetraphenyl-1,3-thiazolidine.

Molecular Properties

Compound Name(2S,4R)-3-benzyl-2,4,5,5-tetraphenyl-1,3-thiazolidine
PubChem CID124865393
Molecular FormulaC34H29NS
Molecular Weight483.68 g/mol
Exact Mass483.20
IUPAC Name(2S,4R)-3-benzyl-2,4,5,5-tetraphenyl-1,3-thiazolidine
SMILESc1ccc(CN2[C@H](c3ccccc3)SC(c3ccccc3)(c3ccccc3)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C34H29NS/c1-6-16-27(17-7-1)26-35-32(28-18-8-2-9-19-28)34(30-22-12-4-13-23-30,31-24-14-5-15-25-31)36-33(35)29-20-10-3-11-21-29/h1-25,32-33H,26H2/t32-,33+/m1/s1
InChIKeyLZBMMFQTIDLMFA-SAIUNTKASA-N
XLogP8.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.68
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-3-benzyl-2,4,5,5-tetraphenyl-1,3-thiazolidine
CID 11836759
(4R)-3-benzyl-4,5,5-triphenyl-1,3-oxazolidin-2-one
CID 10763812
(2S,4S)-3-methyl-2,4-diphenylspiro[1,3-thiazolidine-5,9'-thioxanthene]
CID 100907054
(3R,4S)-1-benzyl-3-fluoro-3-(3-methylphenyl)-4-phenylazetidin-2-one
CID 102203464
(2S,3S,4S)-1-benzyl-2-(chloromethyl)-4-methyl-3-phenylazetidine
CID 53344124
(4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxamide
CID 25231641
8-benzyl-3-phenyl-8-azabicyclo[3.2.1]octane
CID 154275315
(2S,6S)-1-benzyl-2,6-dimethyl-4-phenylpiperidine
CID 10039279
3,4-dichloro-2,2-diphenylthietane
CID 5256015
2,4,6,8,10,12-hexabenzyl-2,4,6,8,10,12-hexazatetracyclo[5.5.0.03,11.05,9]dodec-1(7)-ene
CID 142760875
(1S)-1-[(2R,3R,4S)-1-benzyl-4-methyl-3-phenylazetidin-2-yl]ethanamine
CID 101367368
1-(1-benzyl-4-phenylazetidin-2-yl)-N-methylmethanamine
CID 155208326

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-3-benzyl-2,4,5,5-tetraphenyl-1,3-thiazolidine?
The IUPAC name of (2S,4R)-3-benzyl-2,4,5,5-tetraphenyl-1,3-thiazolidine (CID 124865393) is (2S,4R)-3-benzyl-2,4,5,5-tetraphenyl-1,3-thiazolidine.
What is the SMILES notation for (2S,4R)-3-benzyl-2,4,5,5-tetraphenyl-1,3-thiazolidine?
The canonical SMILES for (2S,4R)-3-benzyl-2,4,5,5-tetraphenyl-1,3-thiazolidine is c1ccc(CN2[C@H](c3ccccc3)SC(c3ccccc3)(c3ccccc3)[C@H]2c2ccccc2)cc1.
What is the InChIKey of (2S,4R)-3-benzyl-2,4,5,5-tetraphenyl-1,3-thiazolidine?
The InChIKey is LZBMMFQTIDLMFA-SAIUNTKASA-N. The full InChI is InChI=1S/C34H29NS/c1-6-16-27(17-7-1)26-35-32(28-18-8-2-9-19-28)34(30-22-12-4-13-23-30,31-24-14-5-15-25-31)36-33(35)29-20-10-3-11-21-29/h1-25,32-33H,26H2/t32-,33+/m1/s1.
What are the key properties of (2S,4R)-3-benzyl-2,4,5,5-tetraphenyl-1,3-thiazolidine?
(2S,4R)-3-benzyl-2,4,5,5-tetraphenyl-1,3-thiazolidine has a molecular weight of 483.68 g/mol, XLogP of 8.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-3-benzyl-2,4,5,5-tetraphenyl-1,3-thiazolidine is sourced from PubChem (CID 124865393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).