(5R)-5-[[4-[3-(4-ethylphenyl)propyl]phenyl]methyl]-1,3-thiazolidine

C21H27NS — CID 174905553

IUPAC(5R)-5-[[4-[3-(4-ethylphenyl)propyl]phenyl]methyl]-1,3-thiazolidine
SMILESCCc1ccc(CCCc2ccc(C[C@@H]3CNCS3)cc2)cc1
InChIInChI=1S/C21H27NS/c1-2-17-6-8-18(9-7-17)4-3-5-19-10-12-20(13-11-19)14-21-15-22-16-23-21/h6-13,21-22H,2-5,14-16H2,1H3/t21-/m1/s1
InChIKeyHUCSVGATAVRGDL-OAQYLSRUSA-N
MW325.52 g/mol
LogP4.63
Rot. Bonds7

About (5R)-5-[[4-[3-(4-ethylphenyl)propyl]phenyl]methyl]-1,3-thiazolidine

(5R)-5-[[4-[3-(4-ethylphenyl)propyl]phenyl]methyl]-1,3-thiazolidine (PubChem CID 174905553) has the molecular formula C21H27NS and a molecular weight of 325.52 g/mol. Its IUPAC name is (5R)-5-[[4-[3-(4-ethylphenyl)propyl]phenyl]methyl]-1,3-thiazolidine.

Molecular Properties

Compound Name(5R)-5-[[4-[3-(4-ethylphenyl)propyl]phenyl]methyl]-1,3-thiazolidine
PubChem CID174905553
Molecular FormulaC21H27NS
Molecular Weight325.52 g/mol
Exact Mass325.19
IUPAC Name(5R)-5-[[4-[3-(4-ethylphenyl)propyl]phenyl]methyl]-1,3-thiazolidine
SMILESCCc1ccc(CCCc2ccc(C[C@@H]3CNCS3)cc2)cc1
InChIInChI=1S/C21H27NS/c1-2-17-6-8-18(9-7-17)4-3-5-19-10-12-20(13-11-19)14-21-15-22-16-23-21/h6-13,21-22H,2-5,14-16H2,1H3/t21-/m1/s1
InChIKeyHUCSVGATAVRGDL-OAQYLSRUSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[4-[3-(4-ethylphenyl)propyl]phenyl]methyl]-1,3-thiazolidine?
The IUPAC name of (5R)-5-[[4-[3-(4-ethylphenyl)propyl]phenyl]methyl]-1,3-thiazolidine (CID 174905553) is (5R)-5-[[4-[3-(4-ethylphenyl)propyl]phenyl]methyl]-1,3-thiazolidine.
What is the SMILES notation for (5R)-5-[[4-[3-(4-ethylphenyl)propyl]phenyl]methyl]-1,3-thiazolidine?
The canonical SMILES for (5R)-5-[[4-[3-(4-ethylphenyl)propyl]phenyl]methyl]-1,3-thiazolidine is CCc1ccc(CCCc2ccc(C[C@@H]3CNCS3)cc2)cc1.
What is the InChIKey of (5R)-5-[[4-[3-(4-ethylphenyl)propyl]phenyl]methyl]-1,3-thiazolidine?
The InChIKey is HUCSVGATAVRGDL-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H27NS/c1-2-17-6-8-18(9-7-17)4-3-5-19-10-12-20(13-11-19)14-21-15-22-16-23-21/h6-13,21-22H,2-5,14-16H2,1H3/t21-/m1/s1.
What are the key properties of (5R)-5-[[4-[3-(4-ethylphenyl)propyl]phenyl]methyl]-1,3-thiazolidine?
(5R)-5-[[4-[3-(4-ethylphenyl)propyl]phenyl]methyl]-1,3-thiazolidine has a molecular weight of 325.52 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[4-[3-(4-ethylphenyl)propyl]phenyl]methyl]-1,3-thiazolidine is sourced from PubChem (CID 174905553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).