(4R)-4-[bis[4-(2,3-dimethylbutan-2-yl)phenyl]methyl]-1,3-thiazolidine

C28H41NS — CID 59628826

IUPAC(4R)-4-[bis[4-(2,3-dimethylbutan-2-yl)phenyl]methyl]-1,3-thiazolidine
SMILESCC(C)C(C)(C)c1ccc(C(c2ccc(C(C)(C)C(C)C)cc2)[C@@H]2CSCN2)cc1
InChIInChI=1S/C28H41NS/c1-19(2)27(5,6)23-13-9-21(10-14-23)26(25-17-30-18-29-25)22-11-15-24(16-12-22)28(7,8)20(3)4/h9-16,19-20,25-26,29H,17-18H2,1-8H3/t25-/m0/s1
InChIKeyALSVPUFXCBPVRX-VWLOTQADSA-N
MW423.71 g/mol
LogP7.35
Rot. Bonds7

About (4R)-4-[bis[4-(2,3-dimethylbutan-2-yl)phenyl]methyl]-1,3-thiazolidine

(4R)-4-[bis[4-(2,3-dimethylbutan-2-yl)phenyl]methyl]-1,3-thiazolidine (PubChem CID 59628826) has the molecular formula C28H41NS and a molecular weight of 423.71 g/mol. Its IUPAC name is (4R)-4-[bis[4-(2,3-dimethylbutan-2-yl)phenyl]methyl]-1,3-thiazolidine.

Molecular Properties

Compound Name(4R)-4-[bis[4-(2,3-dimethylbutan-2-yl)phenyl]methyl]-1,3-thiazolidine
PubChem CID59628826
Molecular FormulaC28H41NS
Molecular Weight423.71 g/mol
Exact Mass423.30
IUPAC Name(4R)-4-[bis[4-(2,3-dimethylbutan-2-yl)phenyl]methyl]-1,3-thiazolidine
SMILESCC(C)C(C)(C)c1ccc(C(c2ccc(C(C)(C)C(C)C)cc2)[C@@H]2CSCN2)cc1
InChIInChI=1S/C28H41NS/c1-19(2)27(5,6)23-13-9-21(10-14-23)26(25-17-30-18-29-25)22-11-15-24(16-12-22)28(7,8)20(3)4/h9-16,19-20,25-26,29H,17-18H2,1-8H3/t25-/m0/s1
InChIKeyALSVPUFXCBPVRX-VWLOTQADSA-N
XLogP7.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.71
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[bis[4-(2,3-dimethylbutan-2-yl)phenyl]methyl]-1,3-thiazolidine?
The IUPAC name of (4R)-4-[bis[4-(2,3-dimethylbutan-2-yl)phenyl]methyl]-1,3-thiazolidine (CID 59628826) is (4R)-4-[bis[4-(2,3-dimethylbutan-2-yl)phenyl]methyl]-1,3-thiazolidine.
What is the SMILES notation for (4R)-4-[bis[4-(2,3-dimethylbutan-2-yl)phenyl]methyl]-1,3-thiazolidine?
The canonical SMILES for (4R)-4-[bis[4-(2,3-dimethylbutan-2-yl)phenyl]methyl]-1,3-thiazolidine is CC(C)C(C)(C)c1ccc(C(c2ccc(C(C)(C)C(C)C)cc2)[C@@H]2CSCN2)cc1.
What is the InChIKey of (4R)-4-[bis[4-(2,3-dimethylbutan-2-yl)phenyl]methyl]-1,3-thiazolidine?
The InChIKey is ALSVPUFXCBPVRX-VWLOTQADSA-N. The full InChI is InChI=1S/C28H41NS/c1-19(2)27(5,6)23-13-9-21(10-14-23)26(25-17-30-18-29-25)22-11-15-24(16-12-22)28(7,8)20(3)4/h9-16,19-20,25-26,29H,17-18H2,1-8H3/t25-/m0/s1.
What are the key properties of (4R)-4-[bis[4-(2,3-dimethylbutan-2-yl)phenyl]methyl]-1,3-thiazolidine?
(4R)-4-[bis[4-(2,3-dimethylbutan-2-yl)phenyl]methyl]-1,3-thiazolidine has a molecular weight of 423.71 g/mol, XLogP of 7.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[bis[4-(2,3-dimethylbutan-2-yl)phenyl]methyl]-1,3-thiazolidine is sourced from PubChem (CID 59628826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).