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

C24H41ClN2OS — CID 23627312

IUPAC(4S)-2-phenyl-N-tetradecyl-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCCCCCCCCCCCCCCNC(=O)[C@H]1CSC(c2ccccc2)N1.Cl
InChIInChI=1S/C24H40N2OS.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-25-23(27)22-20-28-24(26-22)21-17-14-13-15-18-21;/h13-15,17-18,22,24,26H,2-12,16,19-20H2,1H3,(H,25,27);1H/t22-,24?;/m1./s1
InChIKeyFCHREHLNTCBEKF-DXIFWZJUSA-N
MW441.13 g/mol
LogP6.63
Rot. Bonds15

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

(4S)-2-phenyl-N-tetradecyl-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 23627312) has the molecular formula C24H41ClN2OS and a molecular weight of 441.13 g/mol. Its IUPAC name is (4S)-2-phenyl-N-tetradecyl-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(4S)-2-phenyl-N-tetradecyl-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID23627312
Molecular FormulaC24H41ClN2OS
Molecular Weight441.13 g/mol
Exact Mass440.26
IUPAC Name(4S)-2-phenyl-N-tetradecyl-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCCCCCCCCCCCCCCNC(=O)[C@H]1CSC(c2ccccc2)N1.Cl
InChIInChI=1S/C24H40N2OS.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-25-23(27)22-20-28-24(26-22)21-17-14-13-15-18-21;/h13-15,17-18,22,24,26H,2-12,16,19-20H2,1H3,(H,25,27);1H/t22-,24?;/m1./s1
InChIKeyFCHREHLNTCBEKF-DXIFWZJUSA-N
XLogP6.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.13
LogP ≤ 56.63
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)-2-phenyl-N-tetradecyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of (4S)-2-phenyl-N-tetradecyl-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 23627312) is (4S)-2-phenyl-N-tetradecyl-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (4S)-2-phenyl-N-tetradecyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for (4S)-2-phenyl-N-tetradecyl-1,3-thiazolidine-4-carboxamide;hydrochloride is CCCCCCCCCCCCCCNC(=O)[C@H]1CSC(c2ccccc2)N1.Cl.
What is the InChIKey of (4S)-2-phenyl-N-tetradecyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is FCHREHLNTCBEKF-DXIFWZJUSA-N. The full InChI is InChI=1S/C24H40N2OS.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-25-23(27)22-20-28-24(26-22)21-17-14-13-15-18-21;/h13-15,17-18,22,24,26H,2-12,16,19-20H2,1H3,(H,25,27);1H/t22-,24?;/m1./s1.
What are the key properties of (4S)-2-phenyl-N-tetradecyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
(4S)-2-phenyl-N-tetradecyl-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 441.13 g/mol, XLogP of 6.63, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-phenyl-N-tetradecyl-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 23627312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).