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

C24H27N3O2S — CID 8859579

IUPAC2-[(5R)-3-[(1R)-1-cyclopropylethyl]-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1/N=C1\S[C@H](CC(=O)Nc2ccccc2C)C(=O)N1[C@H](C)C1CC1
InChIInChI=1S/C24H27N3O2S/c1-15-8-4-6-10-19(15)25-22(28)14-21-23(29)27(17(3)18-12-13-18)24(30-21)26-20-11-7-5-9-16(20)2/h4-11,17-18,21H,12-14H2,1-3H3,(H,25,28)/b26-24-/t17-,21-/m1/s1
InChIKeyCJGMFHDNJXQGKO-CRLGITRJSA-N
MW421.57 g/mol
LogP5.06
Rot. Bonds6

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

2-[(5R)-3-[(1R)-1-cyclopropylethyl]-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide (PubChem CID 8859579) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is 2-[(5R)-3-[(1R)-1-cyclopropylethyl]-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5R)-3-[(1R)-1-cyclopropylethyl]-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
PubChem CID8859579
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC Name2-[(5R)-3-[(1R)-1-cyclopropylethyl]-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1/N=C1\S[C@H](CC(=O)Nc2ccccc2C)C(=O)N1[C@H](C)C1CC1
InChIInChI=1S/C24H27N3O2S/c1-15-8-4-6-10-19(15)25-22(28)14-21-23(29)27(17(3)18-12-13-18)24(30-21)26-20-11-7-5-9-16(20)2/h4-11,17-18,21H,12-14H2,1-3H3,(H,25,28)/b26-24-/t17-,21-/m1/s1
InChIKeyCJGMFHDNJXQGKO-CRLGITRJSA-N
XLogP5.06
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.57
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-3-[(1R)-1-cyclopropylethyl]-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(5R)-3-[(1R)-1-cyclopropylethyl]-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide (CID 8859579) is 2-[(5R)-3-[(1R)-1-cyclopropylethyl]-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5R)-3-[(1R)-1-cyclopropylethyl]-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(5R)-3-[(1R)-1-cyclopropylethyl]-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide is Cc1ccccc1/N=C1\S[C@H](CC(=O)Nc2ccccc2C)C(=O)N1[C@H](C)C1CC1.
What is the InChIKey of 2-[(5R)-3-[(1R)-1-cyclopropylethyl]-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is CJGMFHDNJXQGKO-CRLGITRJSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-15-8-4-6-10-19(15)25-22(28)14-21-23(29)27(17(3)18-12-13-18)24(30-21)26-20-11-7-5-9-16(20)2/h4-11,17-18,21H,12-14H2,1-3H3,(H,25,28)/b26-24-/t17-,21-/m1/s1.
What are the key properties of 2-[(5R)-3-[(1R)-1-cyclopropylethyl]-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
2-[(5R)-3-[(1R)-1-cyclopropylethyl]-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 421.57 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-3-[(1R)-1-cyclopropylethyl]-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 8859579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).