2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-morpholin-4-ylphenyl)acetamide

C17H22N4O3S — CID 2939340

IUPAC2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESC/N=C1/SC(CC(=O)Nc2ccc(N3CCOCC3)cc2)C(=O)N1C
InChIInChI=1S/C17H22N4O3S/c1-18-17-20(2)16(23)14(25-17)11-15(22)19-12-3-5-13(6-4-12)21-7-9-24-10-8-21/h3-6,14H,7-11H2,1-2H3,(H,19,22)/b18-17+
InChIKeyUROHDJGJSUGJNI-ISLYRVAYSA-N
MW362.46 g/mol
LogP1.41
Rot. Bonds4

About 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-morpholin-4-ylphenyl)acetamide

2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 2939340) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID2939340
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESC/N=C1/SC(CC(=O)Nc2ccc(N3CCOCC3)cc2)C(=O)N1C
InChIInChI=1S/C17H22N4O3S/c1-18-17-20(2)16(23)14(25-17)11-15(22)19-12-3-5-13(6-4-12)21-7-9-24-10-8-21/h3-6,14H,7-11H2,1-2H3,(H,19,22)/b18-17+
InChIKeyUROHDJGJSUGJNI-ISLYRVAYSA-N
XLogP1.41
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-oxo-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-2-yl)-N-phenylacetamide
CID 661432
2-[(2E)-2-(cyclohexylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135403874
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 135464466
2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2462014
1-(4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl N,N'-diethylimidothiocarbamate
CID 2840626
2-[(2Z)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 2998505
N-(2-fluorophenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 3441571
2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 4336212
N-(2,4-difluorophenyl)-2-[2-(2-fluorophenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 4518152
N-cyclohexyl-2-[3-methyl-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-yl]acetamide
CID 5181726
N-(4-chlorophenyl)-2-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl)acetamide
CID 16303723
N-(2-chlorophenyl)-2-[2-(morpholin-4-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamide
CID 16304239

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-morpholin-4-ylphenyl)acetamide (CID 2939340) is 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-morpholin-4-ylphenyl)acetamide is C/N=C1/SC(CC(=O)Nc2ccc(N3CCOCC3)cc2)C(=O)N1C.
What is the InChIKey of 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is UROHDJGJSUGJNI-ISLYRVAYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-18-17-20(2)16(23)14(25-17)11-15(22)19-12-3-5-13(6-4-12)21-7-9-24-10-8-21/h3-6,14H,7-11H2,1-2H3,(H,19,22)/b18-17+.
What are the key properties of 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-morpholin-4-ylphenyl)acetamide?
2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 362.46 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 2939340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).