(5R)-N-naphthalen-1-yl-5-phenyl-3-propan-2-yl-1,3-thiazolidin-2-imine

C22H22N2S — CID 132533885

IUPAC(5R)-N-naphthalen-1-yl-5-phenyl-3-propan-2-yl-1,3-thiazolidin-2-imine
SMILESCC(C)N1C[C@@H](c2ccccc2)S/C1=N\c1cccc2ccccc12
InChIInChI=1S/C22H22N2S/c1-16(2)24-15-21(18-10-4-3-5-11-18)25-22(24)23-20-14-8-12-17-9-6-7-13-19(17)20/h3-14,16,21H,15H2,1-2H3/b23-22-/t21-/m0/s1
InChIKeyNCGZDQSINIMZPL-MUBPVYAGSA-N
MW346.50 g/mol
LogP6.03
Rot. Bonds3

About (5R)-N-naphthalen-1-yl-5-phenyl-3-propan-2-yl-1,3-thiazolidin-2-imine

(5R)-N-naphthalen-1-yl-5-phenyl-3-propan-2-yl-1,3-thiazolidin-2-imine (PubChem CID 132533885) has the molecular formula C22H22N2S and a molecular weight of 346.50 g/mol. Its IUPAC name is (5R)-N-naphthalen-1-yl-5-phenyl-3-propan-2-yl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name(5R)-N-naphthalen-1-yl-5-phenyl-3-propan-2-yl-1,3-thiazolidin-2-imine
PubChem CID132533885
Molecular FormulaC22H22N2S
Molecular Weight346.50 g/mol
Exact Mass346.15
IUPAC Name(5R)-N-naphthalen-1-yl-5-phenyl-3-propan-2-yl-1,3-thiazolidin-2-imine
SMILESCC(C)N1C[C@@H](c2ccccc2)S/C1=N\c1cccc2ccccc12
InChIInChI=1S/C22H22N2S/c1-16(2)24-15-21(18-10-4-3-5-11-18)25-22(24)23-20-14-8-12-17-9-6-7-13-19(17)20/h3-14,16,21H,15H2,1-2H3/b23-22-/t21-/m0/s1
InChIKeyNCGZDQSINIMZPL-MUBPVYAGSA-N
XLogP6.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.50
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-naphthalen-1-yl-5-phenyl-3-propan-2-yl-1,3-thiazolidin-2-imine?
The IUPAC name of (5R)-N-naphthalen-1-yl-5-phenyl-3-propan-2-yl-1,3-thiazolidin-2-imine (CID 132533885) is (5R)-N-naphthalen-1-yl-5-phenyl-3-propan-2-yl-1,3-thiazolidin-2-imine.
What is the SMILES notation for (5R)-N-naphthalen-1-yl-5-phenyl-3-propan-2-yl-1,3-thiazolidin-2-imine?
The canonical SMILES for (5R)-N-naphthalen-1-yl-5-phenyl-3-propan-2-yl-1,3-thiazolidin-2-imine is CC(C)N1C[C@@H](c2ccccc2)S/C1=N\c1cccc2ccccc12.
What is the InChIKey of (5R)-N-naphthalen-1-yl-5-phenyl-3-propan-2-yl-1,3-thiazolidin-2-imine?
The InChIKey is NCGZDQSINIMZPL-MUBPVYAGSA-N. The full InChI is InChI=1S/C22H22N2S/c1-16(2)24-15-21(18-10-4-3-5-11-18)25-22(24)23-20-14-8-12-17-9-6-7-13-19(17)20/h3-14,16,21H,15H2,1-2H3/b23-22-/t21-/m0/s1.
What are the key properties of (5R)-N-naphthalen-1-yl-5-phenyl-3-propan-2-yl-1,3-thiazolidin-2-imine?
(5R)-N-naphthalen-1-yl-5-phenyl-3-propan-2-yl-1,3-thiazolidin-2-imine has a molecular weight of 346.50 g/mol, XLogP of 6.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-naphthalen-1-yl-5-phenyl-3-propan-2-yl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 132533885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).