N-(1-phenylethyl)-3-[(E)-3-phenylprop-2-enoyl]-1,3-thiazolidine-4-carboxamide

C21H22N2O2S — CID 86809261

IUPACN-(1-phenylethyl)-3-[(E)-3-phenylprop-2-enoyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(NC(=O)C1CSCN1C(=O)/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22N2O2S/c1-16(18-10-6-3-7-11-18)22-21(25)19-14-26-15-23(19)20(24)13-12-17-8-4-2-5-9-17/h2-13,16,19H,14-15H2,1H3,(H,22,25)/b13-12+
InChIKeyRGUJFAHYGAETGB-OUKQBFOZSA-N
MW366.49 g/mol
LogP3.48
Rot. Bonds5

About N-(1-phenylethyl)-3-[(E)-3-phenylprop-2-enoyl]-1,3-thiazolidine-4-carboxamide

N-(1-phenylethyl)-3-[(E)-3-phenylprop-2-enoyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 86809261) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-(1-phenylethyl)-3-[(E)-3-phenylprop-2-enoyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-3-[(E)-3-phenylprop-2-enoyl]-1,3-thiazolidine-4-carboxamide
PubChem CID86809261
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-(1-phenylethyl)-3-[(E)-3-phenylprop-2-enoyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(NC(=O)C1CSCN1C(=O)/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22N2O2S/c1-16(18-10-6-3-7-11-18)22-21(25)19-14-26-15-23(19)20(24)13-12-17-8-4-2-5-9-17/h2-13,16,19H,14-15H2,1H3,(H,22,25)/b13-12+
InChIKeyRGUJFAHYGAETGB-OUKQBFOZSA-N
XLogP3.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4S)-3-(2-methylpropanoyl)-N-[(1R)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
CID 809737
(4R)-3-benzoyl-N-[(1S)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
CID 3077631
3-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359361
3-(furan-2-carbonyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 4030871
(4R)-3-(1-phenylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61189106
N-[(4-fluorophenyl)methyl]-3-[(E)-3-phenylprop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 86809176
(4S)-N-tert-butyl-3-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 52846319
N-butan-2-yl-3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 60609283
3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 60609103
(4R)-3-acetyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidine-4-carboxamide
CID 97435322
N-butan-2-yl-3-[(E)-3-(2-nitrophenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 60608939
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-3-[(E)-3-phenylprop-2-enoyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(1-phenylethyl)-3-[(E)-3-phenylprop-2-enoyl]-1,3-thiazolidine-4-carboxamide (CID 86809261) is N-(1-phenylethyl)-3-[(E)-3-phenylprop-2-enoyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-3-[(E)-3-phenylprop-2-enoyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-3-[(E)-3-phenylprop-2-enoyl]-1,3-thiazolidine-4-carboxamide is CC(NC(=O)C1CSCN1C(=O)/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-3-[(E)-3-phenylprop-2-enoyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is RGUJFAHYGAETGB-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-16(18-10-6-3-7-11-18)22-21(25)19-14-26-15-23(19)20(24)13-12-17-8-4-2-5-9-17/h2-13,16,19H,14-15H2,1H3,(H,22,25)/b13-12+.
What are the key properties of N-(1-phenylethyl)-3-[(E)-3-phenylprop-2-enoyl]-1,3-thiazolidine-4-carboxamide?
N-(1-phenylethyl)-3-[(E)-3-phenylprop-2-enoyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-3-[(E)-3-phenylprop-2-enoyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 86809261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).