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

C20H22N4O2S3 — CID 134138822

IUPACN-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-thiomorpholin-4-ylacetamide
SMILESO=C(CN1CCSCC1)Nc1ccc(/N=C2\SCC(=O)N2Cc2cccs2)cc1
InChIInChI=1S/C20H22N4O2S3/c25-18(13-23-7-10-27-11-8-23)21-15-3-5-16(6-4-15)22-20-24(19(26)14-29-20)12-17-2-1-9-28-17/h1-6,9H,7-8,10-14H2,(H,21,25)/b22-20-
InChIKeyOFHUBVXKHCZVRC-XDOYNYLZSA-N
MW446.62 g/mol
LogP3.50
Rot. Bonds6

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

N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-thiomorpholin-4-ylacetamide (PubChem CID 134138822) has the molecular formula C20H22N4O2S3 and a molecular weight of 446.62 g/mol. Its IUPAC name is N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-thiomorpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-thiomorpholin-4-ylacetamide
PubChem CID134138822
Molecular FormulaC20H22N4O2S3
Molecular Weight446.62 g/mol
Exact Mass446.09
IUPAC NameN-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-thiomorpholin-4-ylacetamide
SMILESO=C(CN1CCSCC1)Nc1ccc(/N=C2\SCC(=O)N2Cc2cccs2)cc1
InChIInChI=1S/C20H22N4O2S3/c25-18(13-23-7-10-27-11-8-23)21-15-3-5-16(6-4-15)22-20-24(19(26)14-29-20)12-17-2-1-9-28-17/h1-6,9H,7-8,10-14H2,(H,21,25)/b22-20-
InChIKeyOFHUBVXKHCZVRC-XDOYNYLZSA-N
XLogP3.50
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.62
LogP ≤ 53.50
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

(5E)-2-(4-phenylpiperazin-1-yl)-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4(5H)-one
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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
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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-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

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-thiomorpholin-4-ylacetamide?
The IUPAC name of N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-thiomorpholin-4-ylacetamide (CID 134138822) is N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-thiomorpholin-4-ylacetamide.
What is the SMILES notation for N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-thiomorpholin-4-ylacetamide?
The canonical SMILES for N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-thiomorpholin-4-ylacetamide is O=C(CN1CCSCC1)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-thiomorpholin-4-ylacetamide?
The InChIKey is OFHUBVXKHCZVRC-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H22N4O2S3/c25-18(13-23-7-10-27-11-8-23)21-15-3-5-16(6-4-15)22-20-24(19(26)14-29-20)12-17-2-1-9-28-17/h1-6,9H,7-8,10-14H2,(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-thiomorpholin-4-ylacetamide?
N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-thiomorpholin-4-ylacetamide has a molecular weight of 446.62 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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-thiomorpholin-4-ylacetamide is sourced from PubChem (CID 134138822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).