N-cyclohexyl-2-[(5R)-3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide

C18H23N3O2S — CID 1203904

IUPACN-cyclohexyl-2-[(5R)-3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
SMILESCN1C(=O)[C@@H](CC(=O)NC2CCCCC2)S/C1=N\c1ccccc1
InChIInChI=1S/C18H23N3O2S/c1-21-17(23)15(12-16(22)19-13-8-4-2-5-9-13)24-18(21)20-14-10-6-3-7-11-14/h3,6-7,10-11,13,15H,2,4-5,8-9,12H2,1H3,(H,19,22)/b20-18-/t15-/m1/s1
InChIKeyYRMRLKJXSVNPGE-MEUCICPISA-N
MW345.47 g/mol
LogP3.09
Rot. Bonds4

About N-cyclohexyl-2-[(5R)-3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide

N-cyclohexyl-2-[(5R)-3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide (PubChem CID 1203904) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-cyclohexyl-2-[(5R)-3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(5R)-3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
PubChem CID1203904
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-cyclohexyl-2-[(5R)-3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
SMILESCN1C(=O)[C@@H](CC(=O)NC2CCCCC2)S/C1=N\c1ccccc1
InChIInChI=1S/C18H23N3O2S/c1-21-17(23)15(12-16(22)19-13-8-4-2-5-9-13)24-18(21)20-14-10-6-3-7-11-14/h3,6-7,10-11,13,15H,2,4-5,8-9,12H2,1H3,(H,19,22)/b20-18-/t15-/m1/s1
InChIKeyYRMRLKJXSVNPGE-MEUCICPISA-N
XLogP3.09
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.09
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-(3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 17385719
2-[2-(4-bromophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 4984913
2-[2-(4-iodophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 17382439
2-[(5S)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 40719882
N-cyclohexyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 2937577
N-cyclopropyl-2-[(5R)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 135795117
4-[[2-[2-(3-chlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 3534872
2-[(5S)-3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 2372205
2-[(5S)-3-methyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 9429999
N-(2-bromophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 45143363
2-[(5S)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetic acid
CID 7176491
N-cyclopropyl-2-[3-[2-(1-fluorocyclobutyl)ethyl]-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 146088339

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(5R)-3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[(5R)-3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide (CID 1203904) is N-cyclohexyl-2-[(5R)-3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(5R)-3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(5R)-3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide is CN1C(=O)[C@@H](CC(=O)NC2CCCCC2)S/C1=N\c1ccccc1.
What is the InChIKey of N-cyclohexyl-2-[(5R)-3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is YRMRLKJXSVNPGE-MEUCICPISA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-21-17(23)15(12-16(22)19-13-8-4-2-5-9-13)24-18(21)20-14-10-6-3-7-11-14/h3,6-7,10-11,13,15H,2,4-5,8-9,12H2,1H3,(H,19,22)/b20-18-/t15-/m1/s1.
What are the key properties of N-cyclohexyl-2-[(5R)-3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
N-cyclohexyl-2-[(5R)-3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 345.47 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(5R)-3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 1203904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).