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

C20H24N4O2S2 — CID 134157286

IUPAC2-(diethylamino)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
SMILESCCN(CC)CC(=O)Nc1ccc(/N=C2\SCC(=O)N2Cc2cccs2)cc1
InChIInChI=1S/C20H24N4O2S2/c1-3-23(4-2)13-18(25)21-15-7-9-16(10-8-15)22-20-24(19(26)14-28-20)12-17-6-5-11-27-17/h5-11H,3-4,12-14H2,1-2H3,(H,21,25)/b22-20-
InChIKeyFKAYTNQENYJROG-XDOYNYLZSA-N
MW416.57 g/mol
LogP3.79
Rot. Bonds8

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

2-(diethylamino)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide (PubChem CID 134157286) has the molecular formula C20H24N4O2S2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 2-(diethylamino)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
PubChem CID134157286
Molecular FormulaC20H24N4O2S2
Molecular Weight416.57 g/mol
Exact Mass416.13
IUPAC Name2-(diethylamino)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
SMILESCCN(CC)CC(=O)Nc1ccc(/N=C2\SCC(=O)N2Cc2cccs2)cc1
InChIInChI=1S/C20H24N4O2S2/c1-3-23(4-2)13-18(25)21-15-7-9-16(10-8-15)22-20-24(19(26)14-28-20)12-17-6-5-11-27-17/h5-11H,3-4,12-14H2,1-2H3,(H,21,25)/b22-20-
InChIKeyFKAYTNQENYJROG-XDOYNYLZSA-N
XLogP3.79
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide?
The IUPAC name of 2-(diethylamino)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide (CID 134157286) is 2-(diethylamino)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide.
What is the SMILES notation for 2-(diethylamino)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide?
The canonical SMILES for 2-(diethylamino)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide is CCN(CC)CC(=O)Nc1ccc(/N=C2\SCC(=O)N2Cc2cccs2)cc1.
What is the InChIKey of 2-(diethylamino)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide?
The InChIKey is FKAYTNQENYJROG-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H24N4O2S2/c1-3-23(4-2)13-18(25)21-15-7-9-16(10-8-15)22-20-24(19(26)14-28-20)12-17-6-5-11-27-17/h5-11H,3-4,12-14H2,1-2H3,(H,21,25)/b22-20-.
What are the key properties of 2-(diethylamino)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide?
2-(diethylamino)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide has a molecular weight of 416.57 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide is sourced from PubChem (CID 134157286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).