3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-morpholin-4-ylethyl)propanamide

C19H22ClN3O3S2 — CID 162395592

IUPAC3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESO=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NCCN1CCOCC1
InChIInChI=1S/C19H22ClN3O3S2/c20-15-3-1-14(2-4-15)13-16-18(25)23(19(27)28-16)7-5-17(24)21-6-8-22-9-11-26-12-10-22/h1-4,13H,5-12H2,(H,21,24)/b16-13-
InChIKeyCNRVFKMDMQTJBY-SSZFMOIBSA-N
MW439.99 g/mol
LogP2.38
Rot. Bonds7

About 3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-morpholin-4-ylethyl)propanamide

3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 162395592) has the molecular formula C19H22ClN3O3S2 and a molecular weight of 439.99 g/mol. Its IUPAC name is 3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID162395592
Molecular FormulaC19H22ClN3O3S2
Molecular Weight439.99 g/mol
Exact Mass439.08
IUPAC Name3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESO=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NCCN1CCOCC1
InChIInChI=1S/C19H22ClN3O3S2/c20-15-3-1-14(2-4-15)13-16-18(25)23(19(27)28-16)7-5-17(24)21-6-8-22-9-11-26-12-10-22/h1-4,13H,5-12H2,(H,21,24)/b16-13-
InChIKeyCNRVFKMDMQTJBY-SSZFMOIBSA-N
XLogP2.38
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.99
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-morpholin-4-ylethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 162395738
(5Z)-5-[(4-chlorophenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1348910
N-(3-morpholin-4-ylpropyl)-3-[4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]propanamide
CID 4087571
3-[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
CID 1201121
2-[4-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]acetic acid
CID 16630444
2-[3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]propanoic acid
CID 16629981
3-[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)propanamide
CID 16629639
3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxyphenyl)propanamide
CID 2049106
4-[5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-morpholin-4-ylpropyl)butanamide
CID 4756939
4-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]butanoic acid
CID 6207466
5-[(4-chlorophenyl)methylidene]-3-[6-(4-methylpiperazin-1-yl)-6-oxohexyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4759630
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 127118554

Frequently Asked Questions

What is the IUPAC name of 3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-morpholin-4-ylethyl)propanamide (CID 162395592) is 3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-morpholin-4-ylethyl)propanamide is O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NCCN1CCOCC1.
What is the InChIKey of 3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is CNRVFKMDMQTJBY-SSZFMOIBSA-N. The full InChI is InChI=1S/C19H22ClN3O3S2/c20-15-3-1-14(2-4-15)13-16-18(25)23(19(27)28-16)7-5-17(24)21-6-8-22-9-11-26-12-10-22/h1-4,13H,5-12H2,(H,21,24)/b16-13-.
What are the key properties of 3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-morpholin-4-ylethyl)propanamide?
3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 439.99 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 162395592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).