N-(5-methyl-1,2-oxazol-3-yl)-4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide

C19H19N3O3S2 — CID 1345688

IUPACN-(5-methyl-1,2-oxazol-3-yl)-4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
SMILESCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cc(C)on3)C2=O)cc1
InChIInChI=1S/C19H19N3O3S2/c1-12-5-7-14(8-6-12)11-15-18(24)22(19(26)27-15)9-3-4-17(23)20-16-10-13(2)25-21-16/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21,23)/b15-11-
InChIKeySDWATGBHCJQCBQ-PTNGSMBKSA-N
MW401.51 g/mol
LogP3.91
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide

N-(5-methyl-1,2-oxazol-3-yl)-4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide (PubChem CID 1345688) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
PubChem CID1345688
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
SMILESCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cc(C)on3)C2=O)cc1
InChIInChI=1S/C19H19N3O3S2/c1-12-5-7-14(8-6-12)11-15-18(24)22(19(26)27-15)9-3-4-17(23)20-16-10-13(2)25-21-16/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21,23)/b15-11-
InChIKeySDWATGBHCJQCBQ-PTNGSMBKSA-N
XLogP3.91
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.91
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 N-(5-methyl-1,2-oxazol-3-yl)-4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide 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

1-(2-Ethyl-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid (5-methyl-isoxazol-3-yl)-amide
CID 3160077
2-methyl-N-(5-methyl-3-isoxazolyl)-3-phenylacrylamide
CID 890161
4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 1349482
3-[5-(4-ethylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(5-methyl-3-isoxazolyl)propanamide
CID 1371522
2-(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)-N-(5-methyl-3-isoxazolyl)acetamide
CID 1567476
3-[5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(5-methyl-3-isoxazolyl)propanamide
CID 1636484
3-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 1636485
N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide
CID 3153700
N-(5-methyl-1,2-oxazol-3-yl)-2-{[6-methyl-4-oxo-3-(2-phenylethyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
CID 4065616
1-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 3160079
N-(5-methyl-1,2-oxazol-3-yl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160142
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylacetamide
CID 4882938

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide (CID 1345688) is N-(5-methyl-1,2-oxazol-3-yl)-4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide is Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cc(C)on3)C2=O)cc1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide?
The InChIKey is SDWATGBHCJQCBQ-PTNGSMBKSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c1-12-5-7-14(8-6-12)11-15-18(24)22(19(26)27-15)9-3-4-17(23)20-16-10-13(2)25-21-16/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21,23)/b15-11-.
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide?
N-(5-methyl-1,2-oxazol-3-yl)-4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide has a molecular weight of 401.51 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide is sourced from PubChem (CID 1345688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).