N-(2,6-dimethylphenyl)-2-[(5R)-2-(3-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide

C23H27N3O2S — CID 7973987

IUPACN-(2,6-dimethylphenyl)-2-[(5R)-2-(3-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide
SMILESCCCN1C(=O)[C@@H](CC(=O)Nc2c(C)cccc2C)S/C1=N/c1cccc(C)c1
InChIInChI=1S/C23H27N3O2S/c1-5-12-26-22(28)19(29-23(26)24-18-11-6-8-15(2)13-18)14-20(27)25-21-16(3)9-7-10-17(21)4/h6-11,13,19H,5,12,14H2,1-4H3,(H,25,27)/b24-23+/t19-/m1/s1
InChIKeyVCFAHVYQAGPEEL-FYTMPNSFSA-N
MW409.56 g/mol
LogP4.98
Rot. Bonds6

About N-(2,6-dimethylphenyl)-2-[(5R)-2-(3-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide

N-(2,6-dimethylphenyl)-2-[(5R)-2-(3-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide (PubChem CID 7973987) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[(5R)-2-(3-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[(5R)-2-(3-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide
PubChem CID7973987
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC NameN-(2,6-dimethylphenyl)-2-[(5R)-2-(3-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide
SMILESCCCN1C(=O)[C@@H](CC(=O)Nc2c(C)cccc2C)S/C1=N/c1cccc(C)c1
InChIInChI=1S/C23H27N3O2S/c1-5-12-26-22(28)19(29-23(26)24-18-11-6-8-15(2)13-18)14-20(27)25-21-16(3)9-7-10-17(21)4/h6-11,13,19H,5,12,14H2,1-4H3,(H,25,27)/b24-23+/t19-/m1/s1
InChIKeyVCFAHVYQAGPEEL-FYTMPNSFSA-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-(4-fluorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide
CID 42990807
N-(2,6-dimethylphenyl)-2-[2-(3,4-dimethylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 4054994
2-[(5S)-3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 27523623
2-[(5R)-3-butyl-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 7973966
2-[(5S)-3-butyl-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 7973963
N-(2,5-dimethylphenyl)-2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide
CID 7974495
N-(2,6-dimethylphenyl)-2-[(5S)-4-oxo-2-phenylimino-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 2185030
2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 8716009
2-[2-(3,5-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42990949
2-[(5R)-3-[2-(dimethylamino)ethyl]-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide
CID 2413930
2-[3-cyclopropyl-2-(3,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide
CID 3499708
N-(3-chlorophenyl)-2-(4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl)acetamide
CID 16555653

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[(5R)-2-(3-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[(5R)-2-(3-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide (CID 7973987) is N-(2,6-dimethylphenyl)-2-[(5R)-2-(3-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[(5R)-2-(3-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[(5R)-2-(3-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide is CCCN1C(=O)[C@@H](CC(=O)Nc2c(C)cccc2C)S/C1=N/c1cccc(C)c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[(5R)-2-(3-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is VCFAHVYQAGPEEL-FYTMPNSFSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-5-12-26-22(28)19(29-23(26)24-18-11-6-8-15(2)13-18)14-20(27)25-21-16(3)9-7-10-17(21)4/h6-11,13,19H,5,12,14H2,1-4H3,(H,25,27)/b24-23+/t19-/m1/s1.
What are the key properties of N-(2,6-dimethylphenyl)-2-[(5R)-2-(3-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[(5R)-2-(3-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-(2,6-dimethylphenyl)-2-[(5R)-2-(3-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 7973987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).