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

C23H27N3O2S — CID 7974495

IUPACN-(2,5-dimethylphenyl)-2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide
SMILESCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N\c1ccccc1C
InChIInChI=1S/C23H27N3O2S/c1-5-12-26-22(28)20(29-23(26)25-18-9-7-6-8-16(18)3)14-21(27)24-19-13-15(2)10-11-17(19)4/h6-11,13,20H,5,12,14H2,1-4H3,(H,24,27)/b25-23-/t20-/m1/s1
InChIKeyZWHCLAOGPSHXHV-KHUIZHDGSA-N
MW409.56 g/mol
LogP4.98
Rot. Bonds6

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

N-(2,5-dimethylphenyl)-2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide (PubChem CID 7974495) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide
PubChem CID7974495
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC NameN-(2,5-dimethylphenyl)-2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide
SMILESCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N\c1ccccc1C
InChIInChI=1S/C23H27N3O2S/c1-5-12-26-22(28)20(29-23(26)25-18-9-7-6-8-16(18)3)14-21(27)24-19-13-15(2)10-11-17(19)4/h6-11,13,20H,5,12,14H2,1-4H3,(H,24,27)/b25-23-/t20-/m1/s1
InChIKeyZWHCLAOGPSHXHV-KHUIZHDGSA-N
XLogP4.98
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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
2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 8716009
2-[3-butyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 18281187
N-(2,5-dimethylphenyl)-2-[2-(2,5-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 42994016
2-[(5R)-3-(3-methoxypropyl)-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 8716074
2-[3-butyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 18205331
N-(2,5-dimethylphenyl)-2-[3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 18206216
N-(2,6-dimethylphenyl)-2-[(5R)-2-(3-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide
CID 7973987
N-(5-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 9498884
N-(2,5-dimethylphenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 42994108
2-[2-(2,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4028853
2-[(5S)-2-(2,6-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 8715996

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide (CID 7974495) is N-(2,5-dimethylphenyl)-2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide is CCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N\c1ccccc1C.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is ZWHCLAOGPSHXHV-KHUIZHDGSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-5-12-26-22(28)20(29-23(26)25-18-9-7-6-8-16(18)3)14-21(27)24-19-13-15(2)10-11-17(19)4/h6-11,13,20H,5,12,14H2,1-4H3,(H,24,27)/b25-23-/t20-/m1/s1.
What are the key properties of N-(2,5-dimethylphenyl)-2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide?
N-(2,5-dimethylphenyl)-2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 409.56 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 7974495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).