N-[(1-benzylpiperidin-4-ylidene)amino]-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide

C27H28N4O3S — CID 126345598

IUPACN-[(1-benzylpiperidin-4-ylidene)amino]-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
SMILESO=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C27H28N4O3S/c32-25-19-35-27(31(25)18-24-7-4-16-34-24)22-10-8-21(9-11-22)26(33)29-28-23-12-14-30(15-13-23)17-20-5-2-1-3-6-20/h1-11,16,27H,12-15,17-19H2,(H,29,33)/t27-/m1/s1
InChIKeyILKRMTFOCSEUCK-HHHXNRCGSA-N
MW488.61 g/mol
LogP4.44
Rot. Bonds7

About N-[(1-benzylpiperidin-4-ylidene)amino]-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide

N-[(1-benzylpiperidin-4-ylidene)amino]-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide (PubChem CID 126345598) has the molecular formula C27H28N4O3S and a molecular weight of 488.61 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-ylidene)amino]-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-ylidene)amino]-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
PubChem CID126345598
Molecular FormulaC27H28N4O3S
Molecular Weight488.61 g/mol
Exact Mass488.19
IUPAC NameN-[(1-benzylpiperidin-4-ylidene)amino]-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
SMILESO=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C27H28N4O3S/c32-25-19-35-27(31(25)18-24-7-4-16-34-24)22-10-8-21(9-11-22)26(33)29-28-23-12-14-30(15-13-23)17-20-5-2-1-3-6-20/h1-11,16,27H,12-15,17-19H2,(H,29,33)/t27-/m1/s1
InChIKeyILKRMTFOCSEUCK-HHHXNRCGSA-N
XLogP4.44
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-benzylpiperidin-4-ylidene)amino]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 126347887
4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoic acid
CID 967754
N-ethyl-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 967750
4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 7421671
N-[(2-chlorophenyl)methyl]-4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 3883772
(2R)-3-(furan-2-ylmethyl)-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazolidin-4-one
CID 124550291
N-[(1-benzylpiperidin-4-ylidene)amino]benzamide
CID 746769
4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1R)-1-phenylpropyl]benzamide
CID 30396912
4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylpropyl]benzamide
CID 30396915
2-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 4256729
4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-naphthalen-1-ylbenzamide
CID 41066332
N-(2,6-difluorophenyl)-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 989334

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide?
The IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide (CID 126345598) is N-[(1-benzylpiperidin-4-ylidene)amino]-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-ylidene)amino]-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-ylidene)amino]-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide is O=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1.
What is the InChIKey of N-[(1-benzylpiperidin-4-ylidene)amino]-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide?
The InChIKey is ILKRMTFOCSEUCK-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H28N4O3S/c32-25-19-35-27(31(25)18-24-7-4-16-34-24)22-10-8-21(9-11-22)26(33)29-28-23-12-14-30(15-13-23)17-20-5-2-1-3-6-20/h1-11,16,27H,12-15,17-19H2,(H,29,33)/t27-/m1/s1.
What are the key properties of N-[(1-benzylpiperidin-4-ylidene)amino]-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide?
N-[(1-benzylpiperidin-4-ylidene)amino]-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide has a molecular weight of 488.61 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-ylidene)amino]-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide is sourced from PubChem (CID 126345598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).