N-(3-chlorophenyl)-2-[(5S)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide

C20H18ClN3O2S — CID 2367516

IUPACN-(3-chlorophenyl)-2-[(5S)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(C[C@@H]1S/C(=N\c2ccccc2)N(C2CC2)C1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C20H18ClN3O2S/c21-13-5-4-8-15(11-13)22-18(25)12-17-19(26)24(16-9-10-16)20(27-17)23-14-6-2-1-3-7-14/h1-8,11,16-17H,9-10,12H2,(H,22,25)/b23-20-/t17-/m0/s1
InChIKeyWVLFWOBWGYOGDY-DVCONVQISA-N
MW399.90 g/mol
LogP4.46
Rot. Bonds5

About N-(3-chlorophenyl)-2-[(5S)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide

N-(3-chlorophenyl)-2-[(5S)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide (PubChem CID 2367516) has the molecular formula C20H18ClN3O2S and a molecular weight of 399.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(5S)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(5S)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
PubChem CID2367516
Molecular FormulaC20H18ClN3O2S
Molecular Weight399.90 g/mol
Exact Mass399.08
IUPAC NameN-(3-chlorophenyl)-2-[(5S)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(C[C@@H]1S/C(=N\c2ccccc2)N(C2CC2)C1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C20H18ClN3O2S/c21-13-5-4-8-15(11-13)22-18(25)12-17-19(26)24(16-9-10-16)20(27-17)23-14-6-2-1-3-7-14/h1-8,11,16-17H,9-10,12H2,(H,22,25)/b23-20-/t17-/m0/s1
InChIKeyWVLFWOBWGYOGDY-DVCONVQISA-N
XLogP4.46
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 54.46
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-(3-chlorophenyl)-2-[(5R)-3-cyclopropyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 2362974
2-[(5R)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(3-nitrophenyl)acetamide
CID 7974073
N-(3-chloro-4-methoxyphenyl)-2-(3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 42993771
N-(3-chlorophenyl)-2-[3-cyclopropyl-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 16555650
2-[(5S)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715693
2-(3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(3-nitrophenyl)acetamide
CID 42990625
N-(3-chlorophenyl)-2-(4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl)acetamide
CID 16555653
N-(3-chlorophenyl)-2-[(5S)-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 6597360
N-(3-chlorophenyl)-2-[3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 5200597
2-[(5R)-3-benzyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-chlorophenyl)acetamide
CID 41245307
2-[(5S)-2-(3-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 7324032
2-[(5S)-3-cyclopropyl-2-(3,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715778

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(5S)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(5S)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide (CID 2367516) is N-(3-chlorophenyl)-2-[(5S)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(5S)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(5S)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide is O=C(C[C@@H]1S/C(=N\c2ccccc2)N(C2CC2)C1=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[(5S)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is WVLFWOBWGYOGDY-DVCONVQISA-N. The full InChI is InChI=1S/C20H18ClN3O2S/c21-13-5-4-8-15(11-13)22-18(25)12-17-19(26)24(16-9-10-16)20(27-17)23-14-6-2-1-3-7-14/h1-8,11,16-17H,9-10,12H2,(H,22,25)/b23-20-/t17-/m0/s1.
What are the key properties of N-(3-chlorophenyl)-2-[(5S)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
N-(3-chlorophenyl)-2-[(5S)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 399.90 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[(5S)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 2367516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).