(4S)-N-octadecyl-2-phenyl-1,3-thiazolidine-4-carboxamide;hydrochloride

C28H49ClN2OS — CID 11202779

IUPAC(4S)-N-octadecyl-2-phenyl-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCNC(=O)[C@H]1CSC(c2ccccc2)N1.Cl
InChIInChI=1S/C28H48N2OS.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-29-27(31)26-24-32-28(30-26)25-21-18-17-19-22-25;/h17-19,21-22,26,28,30H,2-16,20,23-24H2,1H3,(H,29,31);1H/t26-,28?;/m1./s1
InChIKeyFMSWWJGJSAGBHX-UFTHRRPOSA-N
MW497.23 g/mol
LogP8.19
Rot. Bonds19

About (4S)-N-octadecyl-2-phenyl-1,3-thiazolidine-4-carboxamide;hydrochloride

(4S)-N-octadecyl-2-phenyl-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 11202779) has the molecular formula C28H49ClN2OS and a molecular weight of 497.23 g/mol. Its IUPAC name is (4S)-N-octadecyl-2-phenyl-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(4S)-N-octadecyl-2-phenyl-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID11202779
Molecular FormulaC28H49ClN2OS
Molecular Weight497.23 g/mol
Exact Mass496.33
IUPAC Name(4S)-N-octadecyl-2-phenyl-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCNC(=O)[C@H]1CSC(c2ccccc2)N1.Cl
InChIInChI=1S/C28H48N2OS.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-29-27(31)26-24-32-28(30-26)25-21-18-17-19-22-25;/h17-19,21-22,26,28,30H,2-16,20,23-24H2,1H3,(H,29,31);1H/t26-,28?;/m1./s1
InChIKeyFMSWWJGJSAGBHX-UFTHRRPOSA-N
XLogP8.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.23
LogP ≤ 58.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-octadecyl-2-phenyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of (4S)-N-octadecyl-2-phenyl-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 11202779) is (4S)-N-octadecyl-2-phenyl-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (4S)-N-octadecyl-2-phenyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for (4S)-N-octadecyl-2-phenyl-1,3-thiazolidine-4-carboxamide;hydrochloride is CCCCCCCCCCCCCCCCCCNC(=O)[C@H]1CSC(c2ccccc2)N1.Cl.
What is the InChIKey of (4S)-N-octadecyl-2-phenyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is FMSWWJGJSAGBHX-UFTHRRPOSA-N. The full InChI is InChI=1S/C28H48N2OS.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-29-27(31)26-24-32-28(30-26)25-21-18-17-19-22-25;/h17-19,21-22,26,28,30H,2-16,20,23-24H2,1H3,(H,29,31);1H/t26-,28?;/m1./s1.
What are the key properties of (4S)-N-octadecyl-2-phenyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
(4S)-N-octadecyl-2-phenyl-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 497.23 g/mol, XLogP of 8.19, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-octadecyl-2-phenyl-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 11202779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).