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

C23H25N3O2S — CID 7974486

IUPACN-(2,6-dimethylphenyl)-2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
SMILESC=CCN1C(=O)[C@@H](CC(=O)Nc2c(C)cccc2C)S/C1=N\c1ccccc1C
InChIInChI=1S/C23H25N3O2S/c1-5-13-26-22(28)19(29-23(26)24-18-12-7-6-9-15(18)2)14-20(27)25-21-16(3)10-8-11-17(21)4/h5-12,19H,1,13-14H2,2-4H3,(H,25,27)/b24-23-/t19-/m1/s1
InChIKeyRWKLNKQSTMRLSE-QNBCRBJRSA-N
MW407.54 g/mol
LogP4.76
Rot. Bonds6

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

N-(2,6-dimethylphenyl)-2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide (PubChem CID 7974486) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
PubChem CID7974486
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC NameN-(2,6-dimethylphenyl)-2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
SMILESC=CCN1C(=O)[C@@H](CC(=O)Nc2c(C)cccc2C)S/C1=N\c1ccccc1C
InChIInChI=1S/C23H25N3O2S/c1-5-13-26-22(28)19(29-23(26)24-18-12-7-6-9-15(18)2)14-20(27)25-21-16(3)10-8-11-17(21)4/h5-12,19H,1,13-14H2,2-4H3,(H,25,27)/b24-23-/t19-/m1/s1
InChIKeyRWKLNKQSTMRLSE-QNBCRBJRSA-N
XLogP4.76
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dimethylphenyl)-2-[(5S)-4-oxo-2-phenylimino-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 2185030
2-[(5S)-2-naphthalen-1-ylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 1213678
N-(3-methoxyphenyl)-2-[(5S)-2-(2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 8716092
N-(5-chloro-2-methoxyphenyl)-2-[(5S)-2-(2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 1217994
2-[(5S)-2-(2-ethoxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 8715992
N-(4-methoxyphenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetamide
CID 5263516
2-[(5S)-2-(3-chloro-2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 27523379
N-(4-fluorophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetamide
CID 18824511
2-[(5S)-2-(5-chloro-2-methylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide
CID 9498919
2-[[(5S)-5-(2-anilino-2-oxoethyl)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 7025639
2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 1218013
N-(3,4-dimethoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 42994073

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide (CID 7974486) is N-(2,6-dimethylphenyl)-2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide is C=CCN1C(=O)[C@@H](CC(=O)Nc2c(C)cccc2C)S/C1=N\c1ccccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is RWKLNKQSTMRLSE-QNBCRBJRSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-5-13-26-22(28)19(29-23(26)24-18-12-7-6-9-15(18)2)14-20(27)25-21-16(3)10-8-11-17(21)4/h5-12,19H,1,13-14H2,2-4H3,(H,25,27)/b24-23-/t19-/m1/s1.
What are the key properties of N-(2,6-dimethylphenyl)-2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 407.54 g/mol, XLogP of 4.76, 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-(2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 7974486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).