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

C18H20N4O2S2 — CID 134144269

IUPAC2-(ethylamino)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
SMILESCCNCC(=O)Nc1ccc(/N=C2\SCC(=O)N2Cc2cccs2)cc1
InChIInChI=1S/C18H20N4O2S2/c1-2-19-10-16(23)20-13-5-7-14(8-6-13)21-18-22(17(24)12-26-18)11-15-4-3-9-25-15/h3-9,19H,2,10-12H2,1H3,(H,20,23)/b21-18-
InChIKeyUYJWWCAUHARNGL-UZYVYHOESA-N
MW388.52 g/mol
LogP3.06
Rot. Bonds7

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

2-(ethylamino)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide (PubChem CID 134144269) has the molecular formula C18H20N4O2S2 and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-(ethylamino)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
PubChem CID134144269
Molecular FormulaC18H20N4O2S2
Molecular Weight388.52 g/mol
Exact Mass388.10
IUPAC Name2-(ethylamino)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
SMILESCCNCC(=O)Nc1ccc(/N=C2\SCC(=O)N2Cc2cccs2)cc1
InChIInChI=1S/C18H20N4O2S2/c1-2-19-10-16(23)20-13-5-7-14(8-6-13)21-18-22(17(24)12-26-18)11-15-4-3-9-25-15/h3-9,19H,2,10-12H2,1H3,(H,20,23)/b21-18-
InChIKeyUYJWWCAUHARNGL-UZYVYHOESA-N
XLogP3.06
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.06
H-Bond Donors ≤ 52
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
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 3195205
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
N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-piperidin-1-ylacetamide
CID 134140797
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 2-(ethylamino)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide?
The IUPAC name of 2-(ethylamino)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide (CID 134144269) is 2-(ethylamino)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide.
What is the SMILES notation for 2-(ethylamino)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide?
The canonical SMILES for 2-(ethylamino)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide is CCNCC(=O)Nc1ccc(/N=C2\SCC(=O)N2Cc2cccs2)cc1.
What is the InChIKey of 2-(ethylamino)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide?
The InChIKey is UYJWWCAUHARNGL-UZYVYHOESA-N. The full InChI is InChI=1S/C18H20N4O2S2/c1-2-19-10-16(23)20-13-5-7-14(8-6-13)21-18-22(17(24)12-26-18)11-15-4-3-9-25-15/h3-9,19H,2,10-12H2,1H3,(H,20,23)/b21-18-.
What are the key properties of 2-(ethylamino)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide?
2-(ethylamino)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide has a molecular weight of 388.52 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide is sourced from PubChem (CID 134144269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).