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

C20H22N4O2S2 — CID 134154000

IUPACN-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1ccc(/N=C2\SCC(=O)N2Cc2cccs2)cc1
InChIInChI=1S/C20H22N4O2S2/c25-18(13-23-9-1-2-10-23)21-15-5-7-16(8-6-15)22-20-24(19(26)14-28-20)12-17-4-3-11-27-17/h3-8,11H,1-2,9-10,12-14H2,(H,21,25)/b22-20-
InChIKeyAFTGSYWMLCWGIT-XDOYNYLZSA-N
MW414.56 g/mol
LogP3.55
Rot. Bonds6

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

N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 134154000) has the molecular formula C20H22N4O2S2 and a molecular weight of 414.56 g/mol. Its IUPAC name is N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-pyrrolidin-1-ylacetamide
PubChem CID134154000
Molecular FormulaC20H22N4O2S2
Molecular Weight414.56 g/mol
Exact Mass414.12
IUPAC NameN-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1ccc(/N=C2\SCC(=O)N2Cc2cccs2)cc1
InChIInChI=1S/C20H22N4O2S2/c25-18(13-23-9-1-2-10-23)21-15-5-7-16(8-6-15)22-20-24(19(26)14-28-20)12-17-4-3-11-27-17/h3-8,11H,1-2,9-10,12-14H2,(H,21,25)/b22-20-
InChIKeyAFTGSYWMLCWGIT-XDOYNYLZSA-N
XLogP3.55
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.56
LogP ≤ 53.55
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

(E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-thiophen-2-ylprop-2-enamide
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
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
N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-piperidin-1-ylacetamide
CID 134140797
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
2-(diethylamino)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
CID 134157286

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-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-pyrrolidin-1-ylacetamide (CID 134154000) is N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)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-pyrrolidin-1-ylacetamide?
The InChIKey is AFTGSYWMLCWGIT-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H22N4O2S2/c25-18(13-23-9-1-2-10-23)21-15-5-7-16(8-6-15)22-20-24(19(26)14-28-20)12-17-4-3-11-27-17/h3-8,11H,1-2,9-10,12-14H2,(H,21,25)/b22-20-.
What are the key properties of N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-pyrrolidin-1-ylacetamide?
N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 414.56 g/mol, XLogP of 3.55, 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-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 134154000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).