N-(2,5-dimethylphenyl)-2-[2-(2,5-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide

C25H31N3O3S — CID 42994016

IUPACN-(2,5-dimethylphenyl)-2-[2-(2,5-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOCCCN1C(=O)C(CC(=O)Nc2cc(C)ccc2C)S/C1=N\c1cc(C)ccc1C
InChIInChI=1S/C25H31N3O3S/c1-16-7-9-18(3)20(13-16)26-23(29)15-22-24(30)28(11-6-12-31-5)25(32-22)27-21-14-17(2)8-10-19(21)4/h7-10,13-14,22H,6,11-12,15H2,1-5H3,(H,26,29)/b27-25-
InChIKeyWTWQDJWISVPTJJ-RFBIWTDZSA-N
MW453.61 g/mol
LogP4.92
Rot. Bonds8

About N-(2,5-dimethylphenyl)-2-[2-(2,5-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(2,5-dimethylphenyl)-2-[2-(2,5-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 42994016) has the molecular formula C25H31N3O3S and a molecular weight of 453.61 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[2-(2,5-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[2-(2,5-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID42994016
Molecular FormulaC25H31N3O3S
Molecular Weight453.61 g/mol
Exact Mass453.21
IUPAC NameN-(2,5-dimethylphenyl)-2-[2-(2,5-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOCCCN1C(=O)C(CC(=O)Nc2cc(C)ccc2C)S/C1=N\c1cc(C)ccc1C
InChIInChI=1S/C25H31N3O3S/c1-16-7-9-18(3)20(13-16)26-23(29)15-22-24(30)28(11-6-12-31-5)25(32-22)27-21-14-17(2)8-10-19(21)4/h7-10,13-14,22H,6,11-12,15H2,1-5H3,(H,26,29)/b27-25-
InChIKeyWTWQDJWISVPTJJ-RFBIWTDZSA-N
XLogP4.92
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethylphenyl)-2-[3-(3-methoxypropyl)-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 18267547
N-(2,5-dimethylphenyl)-2-[3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 18206216
N-(2,5-dimethylphenyl)-2-[3-(3-methoxypropyl)-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]acetamide
CID 42993938
2-[(5R)-3-(3-methoxypropyl)-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 8716074
N-(2,5-dimethylphenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 42994108
N-(2,4-difluorophenyl)-2-[2-(2,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 42994000
2-[2-(2,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4028853
N-(3-chloro-2-methylphenyl)-2-[2-(2,4-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 46802671
N-(2,5-dimethylphenyl)-2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide
CID 7974495
2-[2-(3-chloro-4-methylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 42994090
2-[3-butyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 18281187
2-[(5S)-3-cyclopropyl-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 8715661

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[2-(2,5-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[2-(2,5-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 42994016) is N-(2,5-dimethylphenyl)-2-[2-(2,5-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[2-(2,5-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[2-(2,5-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide is COCCCN1C(=O)C(CC(=O)Nc2cc(C)ccc2C)S/C1=N\c1cc(C)ccc1C.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[2-(2,5-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is WTWQDJWISVPTJJ-RFBIWTDZSA-N. The full InChI is InChI=1S/C25H31N3O3S/c1-16-7-9-18(3)20(13-16)26-23(29)15-22-24(30)28(11-6-12-31-5)25(32-22)27-21-14-17(2)8-10-19(21)4/h7-10,13-14,22H,6,11-12,15H2,1-5H3,(H,26,29)/b27-25-.
What are the key properties of N-(2,5-dimethylphenyl)-2-[2-(2,5-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(2,5-dimethylphenyl)-2-[2-(2,5-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 453.61 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[2-(2,5-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 42994016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).