2-[(5R)-3-cyclopentyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide

C20H27N3O2S — CID 1285662

IUPAC2-[(5R)-3-cyclopentyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESC/N=C1\S[C@H](CC(=O)Nc2ccc(C(C)C)cc2)C(=O)N1C1CCCC1
InChIInChI=1S/C20H27N3O2S/c1-13(2)14-8-10-15(11-9-14)22-18(24)12-17-19(25)23(20(21-3)26-17)16-6-4-5-7-16/h8-11,13,16-17H,4-7,12H2,1-3H3,(H,22,24)/b21-20-/t17-/m1/s1
InChIKeyAMHDRHWKOJDYJO-QBEKEKFNSA-N
MW373.52 g/mol
LogP4.01
Rot. Bonds5

About 2-[(5R)-3-cyclopentyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide

2-[(5R)-3-cyclopentyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 1285662) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-[(5R)-3-cyclopentyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5R)-3-cyclopentyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID1285662
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name2-[(5R)-3-cyclopentyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESC/N=C1\S[C@H](CC(=O)Nc2ccc(C(C)C)cc2)C(=O)N1C1CCCC1
InChIInChI=1S/C20H27N3O2S/c1-13(2)14-8-10-15(11-9-14)22-18(24)12-17-19(25)23(20(21-3)26-17)16-6-4-5-7-16/h8-11,13,16-17H,4-7,12H2,1-3H3,(H,22,24)/b21-20-/t17-/m1/s1
InChIKeyAMHDRHWKOJDYJO-QBEKEKFNSA-N
XLogP4.01
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.01
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

2-[(5S)-3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 27209464
2-[(5S)-3-cycloheptyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dichlorophenyl)acetamide
CID 1217857
N-(4-chlorophenyl)-2-[(5R)-3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 51670297
N-(4-bromophenyl)-2-(3-cycloheptyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide
CID 4622176
N-(3-chloro-4-methylphenyl)-2-(3-cyclohexyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 45145533
2-[(5S)-3-cyclopropyl-2-(3,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715778
2-[(5R)-3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 51858935
2-[(5S)-3-cyclohexyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 51663556
2-[(5R)-2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 1221375
2-[(5S)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715693
2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide
CID 11839703
2-[3-ethyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 4059953

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-3-cyclopentyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[(5R)-3-cyclopentyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide (CID 1285662) is 2-[(5R)-3-cyclopentyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[(5R)-3-cyclopentyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[(5R)-3-cyclopentyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide is C/N=C1\S[C@H](CC(=O)Nc2ccc(C(C)C)cc2)C(=O)N1C1CCCC1.
What is the InChIKey of 2-[(5R)-3-cyclopentyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is AMHDRHWKOJDYJO-QBEKEKFNSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-13(2)14-8-10-15(11-9-14)22-18(24)12-17-19(25)23(20(21-3)26-17)16-6-4-5-7-16/h8-11,13,16-17H,4-7,12H2,1-3H3,(H,22,24)/b21-20-/t17-/m1/s1.
What are the key properties of 2-[(5R)-3-cyclopentyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide?
2-[(5R)-3-cyclopentyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 373.52 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-3-cyclopentyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 1285662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).