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

C20H22N4O3S2 — CID 134145090

IUPAC2-morpholin-4-yl-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(/N=C2\SCC(=O)N2Cc2cccs2)cc1
InChIInChI=1S/C20H22N4O3S2/c25-18(13-23-7-9-27-10-8-23)21-15-3-5-16(6-4-15)22-20-24(19(26)14-29-20)12-17-2-1-11-28-17/h1-6,11H,7-10,12-14H2,(H,21,25)/b22-20-
InChIKeyUYPFOBVJCWVTIC-XDOYNYLZSA-N
MW430.56 g/mol
LogP2.78
Rot. Bonds6

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

2-morpholin-4-yl-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide (PubChem CID 134145090) has the molecular formula C20H22N4O3S2 and a molecular weight of 430.56 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
PubChem CID134145090
Molecular FormulaC20H22N4O3S2
Molecular Weight430.56 g/mol
Exact Mass430.11
IUPAC Name2-morpholin-4-yl-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(/N=C2\SCC(=O)N2Cc2cccs2)cc1
InChIInChI=1S/C20H22N4O3S2/c25-18(13-23-7-9-27-10-8-23)21-15-3-5-16(6-4-15)22-20-24(19(26)14-29-20)12-17-2-1-11-28-17/h1-6,11H,7-10,12-14H2,(H,21,25)/b22-20-
InChIKeyUYPFOBVJCWVTIC-XDOYNYLZSA-N
XLogP2.78
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-thiophen-2-ylprop-2-enamide
CID 7125404
2-(Morpholin-4-YL)-2-oxo-N-[1-(4-phenylpiperazin-1-YL)-1-(thiophen-2-YL)propan-2-YL]acetamide
CID 20866387
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
N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-pyrrolidin-1-ylacetamide
CID 134154000
2-(diethylamino)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
CID 134157286
N1-(2,4-difluorophenyl)-N2-(2-morpholino-2-(thiophen-2-yl)ethyl)oxalamide
CID 18589173

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide (CID 134145090) is 2-morpholin-4-yl-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide is O=C(CN1CCOCC1)Nc1ccc(/N=C2\SCC(=O)N2Cc2cccs2)cc1.
What is the InChIKey of 2-morpholin-4-yl-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide?
The InChIKey is UYPFOBVJCWVTIC-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H22N4O3S2/c25-18(13-23-7-9-27-10-8-23)21-15-3-5-16(6-4-15)22-20-24(19(26)14-29-20)12-17-2-1-11-28-17/h1-6,11H,7-10,12-14H2,(H,21,25)/b22-20-.
What are the key properties of 2-morpholin-4-yl-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide?
2-morpholin-4-yl-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide has a molecular weight of 430.56 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide is sourced from PubChem (CID 134145090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).