N-(3-chlorophenyl)-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide

C17H15ClN4O2S — CID 135618411

IUPACN-(3-chlorophenyl)-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(C[C@H]1S/C(=N/Nc2ccccc2)NC1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H15ClN4O2S/c18-11-5-4-8-13(9-11)19-15(23)10-14-16(24)20-17(25-14)22-21-12-6-2-1-3-7-12/h1-9,14,21H,10H2,(H,19,23)(H,20,22,24)/t14-/m1/s1
InChIKeyOEUWEQDESKEQFP-CQSZACIVSA-N
MW374.85 g/mol
LogP3.28
Rot. Bonds5

About N-(3-chlorophenyl)-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide

N-(3-chlorophenyl)-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135618411) has the molecular formula C17H15ClN4O2S and a molecular weight of 374.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
PubChem CID135618411
Molecular FormulaC17H15ClN4O2S
Molecular Weight374.85 g/mol
Exact Mass374.06
IUPAC NameN-(3-chlorophenyl)-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(C[C@H]1S/C(=N/Nc2ccccc2)NC1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H15ClN4O2S/c18-11-5-4-8-13(9-11)19-15(23)10-14-16(24)20-17(25-14)22-21-12-6-2-1-3-7-12/h1-9,14,21H,10H2,(H,19,23)(H,20,22,24)/t14-/m1/s1
InChIKeyOEUWEQDESKEQFP-CQSZACIVSA-N
XLogP3.28
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-naphthalen-2-yl-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618393
N-(2-chlorophenyl)-2-[(2E,5S)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618422
N-(3-nitrophenyl)-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618395
N-(4-fluorophenyl)-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618401
N-(4-fluorophenyl)-2-[(5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 136817665
N-(4-methylphenyl)-2-[(2Z)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135715134
N-(2,6-dimethylphenyl)-2-[(2E,5S)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618409
N-(3-chloro-2-methylphenyl)-2-[(2E,5S)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618405
N-(3-chlorophenyl)-2-[(5R)-4-oxo-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 135927427
N-(3-chlorophenyl)-2-[(2E)-2-[(4-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135777493
N-(3-chlorophenyl)-2-[2-[(4-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135452196
N-(2-methylphenyl)-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618436

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide (CID 135618411) is N-(3-chlorophenyl)-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide is O=C(C[C@H]1S/C(=N/Nc2ccccc2)NC1=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is OEUWEQDESKEQFP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H15ClN4O2S/c18-11-5-4-8-13(9-11)19-15(23)10-14-16(24)20-17(25-14)22-21-12-6-2-1-3-7-12/h1-9,14,21H,10H2,(H,19,23)(H,20,22,24)/t14-/m1/s1.
What are the key properties of N-(3-chlorophenyl)-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide?
N-(3-chlorophenyl)-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 374.85 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135618411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).