N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-piperidin-1-ylacetamide

C21H24N4O2S2 — CID 134140797

IUPACN-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1ccc(/N=C2\SCC(=O)N2Cc2cccs2)cc1
InChIInChI=1S/C21H24N4O2S2/c26-19(14-24-10-2-1-3-11-24)22-16-6-8-17(9-7-16)23-21-25(20(27)15-29-21)13-18-5-4-12-28-18/h4-9,12H,1-3,10-11,13-15H2,(H,22,26)/b23-21-
InChIKeyQEWPIHVWWJMFMV-LNVKXUELSA-N
MW428.58 g/mol
LogP3.94
Rot. Bonds6

About N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-piperidin-1-ylacetamide

N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-piperidin-1-ylacetamide (PubChem CID 134140797) has the molecular formula C21H24N4O2S2 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-piperidin-1-ylacetamide
PubChem CID134140797
Molecular FormulaC21H24N4O2S2
Molecular Weight428.58 g/mol
Exact Mass428.13
IUPAC NameN-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1ccc(/N=C2\SCC(=O)N2Cc2cccs2)cc1
InChIInChI=1S/C21H24N4O2S2/c26-19(14-24-10-2-1-3-11-24)22-16-6-8-17(9-7-16)23-21-25(20(27)15-29-21)13-18-5-4-12-28-18/h4-9,12H,1-3,10-11,13-15H2,(H,22,26)/b23-21-
InChIKeyQEWPIHVWWJMFMV-LNVKXUELSA-N
XLogP3.94
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5E)-2-(4-phenylpiperazin-1-yl)-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4(5H)-one
CID 1829480
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CID 2450658
N-[4-(diethylamino)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 4796551
1-Phenyl-3-(thiophen-2-ylmethylamino)pyrazin-2-one
CID 16025727
4-(4-acetyl-1-piperazinyl)-N-(2-thienylmethyl)aniline
CID 977038
2-Phenylamino-3-thiophen-2-ylmethyl-3,5-dihydro-imidazol-4-one
CID 9549457
2-(4-methylpiperazin-1-yl)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
CID 134137352
N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-thiomorpholin-4-ylacetamide
CID 134138822
2-(ethylamino)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
CID 134144269
N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-(propylamino)acetamide
CID 134148163
2-(dimethylamino)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
CID 134150591
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
CID 134153646

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-piperidin-1-ylacetamide (CID 134140797) is N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)Nc1ccc(/N=C2\SCC(=O)N2Cc2cccs2)cc1.
What is the InChIKey of N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-piperidin-1-ylacetamide?
The InChIKey is QEWPIHVWWJMFMV-LNVKXUELSA-N. The full InChI is InChI=1S/C21H24N4O2S2/c26-19(14-24-10-2-1-3-11-24)22-16-6-8-17(9-7-16)23-21-25(20(27)15-29-21)13-18-5-4-12-28-18/h4-9,12H,1-3,10-11,13-15H2,(H,22,26)/b23-21-.
What are the key properties of N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-piperidin-1-ylacetamide?
N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-piperidin-1-ylacetamide has a molecular weight of 428.58 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 134140797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).