2-[(5R)-2-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]imino]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-chlorophenyl)acetamide

C18H18ClN3O2S — CID 136766646

IUPAC2-[(5R)-2-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]imino]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-chlorophenyl)acetamide
SMILESO=C(C[C@H]1S/C(=N\[C@H]2C[C@H]3C=C[C@H]2C3)NC1=O)Nc1ccccc1Cl
InChIInChI=1S/C18H18ClN3O2S/c19-12-3-1-2-4-13(12)20-16(23)9-15-17(24)22-18(25-15)21-14-8-10-5-6-11(14)7-10/h1-6,10-11,14-15H,7-9H2,(H,20,23)(H,21,22,24)/t10-,11-,14-,15+/m0/s1
InChIKeyBOKVJFHTLJCVEB-LWWSYDQCSA-N
MW375.88 g/mol
LogP3.22
Rot. Bonds4

About 2-[(5R)-2-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]imino]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-chlorophenyl)acetamide

2-[(5R)-2-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]imino]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-chlorophenyl)acetamide (PubChem CID 136766646) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is 2-[(5R)-2-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]imino]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5R)-2-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]imino]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-chlorophenyl)acetamide
PubChem CID136766646
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC Name2-[(5R)-2-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]imino]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-chlorophenyl)acetamide
SMILESO=C(C[C@H]1S/C(=N\[C@H]2C[C@H]3C=C[C@H]2C3)NC1=O)Nc1ccccc1Cl
InChIInChI=1S/C18H18ClN3O2S/c19-12-3-1-2-4-13(12)20-16(23)9-15-17(24)22-18(25-15)21-14-8-10-5-6-11(14)7-10/h1-6,10-11,14-15H,7-9H2,(H,20,23)(H,21,22,24)/t10-,11-,14-,15+/m0/s1
InChIKeyBOKVJFHTLJCVEB-LWWSYDQCSA-N
XLogP3.22
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 53.22
H-Bond Donors ≤ 52
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-chlorophenyl)-2-[(5S)-2-cyclopropylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135725249
N-(2-chlorophenyl)-2-[(5S)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 135748169
N-(2-chlorophenyl)-2-[(2E,5S)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618422
2-[(5S)-2-[(2S)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-chlorophenyl)acetamide
CID 135774989
N-(2-chlorophenyl)-2-[(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135563441
5-[2-(azepan-1-yl)-2-oxoethyl]-2-(2-bicyclo[2.2.1]hept-5-enylimino)-1,3-thiazolidin-4-one
CID 135997543
N-(2-chlorophenyl)-2-[(5R)-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135692022
N-(2-chlorophenyl)-2-[4-oxo-2-(oxolan-2-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide
CID 135718712
2-[(5R)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide
CID 135692285
2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide
CID 135691982
2-[2-(2-bicyclo[2.2.1]hept-5-enylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-methyl-N-(4-methylphenyl)acetamide
CID 135436634
N-(2-chlorophenyl)-2-[2-[(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135538508

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]imino]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[(5R)-2-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]imino]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-chlorophenyl)acetamide (CID 136766646) is 2-[(5R)-2-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]imino]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[(5R)-2-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]imino]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[(5R)-2-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]imino]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-chlorophenyl)acetamide is O=C(C[C@H]1S/C(=N\[C@H]2C[C@H]3C=C[C@H]2C3)NC1=O)Nc1ccccc1Cl.
What is the InChIKey of 2-[(5R)-2-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]imino]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-chlorophenyl)acetamide?
The InChIKey is BOKVJFHTLJCVEB-LWWSYDQCSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c19-12-3-1-2-4-13(12)20-16(23)9-15-17(24)22-18(25-15)21-14-8-10-5-6-11(14)7-10/h1-6,10-11,14-15H,7-9H2,(H,20,23)(H,21,22,24)/t10-,11-,14-,15+/m0/s1.
What are the key properties of 2-[(5R)-2-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]imino]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-chlorophenyl)acetamide?
2-[(5R)-2-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]imino]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-chlorophenyl)acetamide has a molecular weight of 375.88 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]imino]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 136766646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).