N-(2,6-dimethylphenyl)-2-[(2E,5S)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide

C19H20N4O2S — CID 135618409

IUPACN-(2,6-dimethylphenyl)-2-[(2E,5S)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)C[C@@H]1S/C(=N/Nc2ccccc2)NC1=O
InChIInChI=1S/C19H20N4O2S/c1-12-7-6-8-13(2)17(12)20-16(24)11-15-18(25)21-19(26-15)23-22-14-9-4-3-5-10-14/h3-10,15,22H,11H2,1-2H3,(H,20,24)(H,21,23,25)/t15-/m0/s1
InChIKeyMNPRMFQPFNYFDR-HNNXBMFYSA-N
MW368.46 g/mol
LogP3.25
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-[(2E,5S)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide

N-(2,6-dimethylphenyl)-2-[(2E,5S)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135618409) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[(2E,5S)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[(2E,5S)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
PubChem CID135618409
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-(2,6-dimethylphenyl)-2-[(2E,5S)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)C[C@@H]1S/C(=N/Nc2ccccc2)NC1=O
InChIInChI=1S/C19H20N4O2S/c1-12-7-6-8-13(2)17(12)20-16(24)11-15-18(25)21-19(26-15)23-22-14-9-4-3-5-10-14/h3-10,15,22H,11H2,1-2H3,(H,20,24)(H,21,23,25)/t15-/m0/s1
InChIKeyMNPRMFQPFNYFDR-HNNXBMFYSA-N
XLogP3.25
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.25
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-(2-methylphenyl)-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618436
N-(4-methylphenyl)-2-[(2Z)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135715134
N-(3-chloro-2-methylphenyl)-2-[(2E,5S)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618405
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-(3-chlorophenyl)-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618411
N-(2-chlorophenyl)-2-[(2E,5S)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618422
N-naphthalen-2-yl-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618393
N-(2,6-dimethylphenyl)-2-[(5S)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135833997
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 137204312
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2E,5S)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618439
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 136762049

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[(2E,5S)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[(2E,5S)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide (CID 135618409) is N-(2,6-dimethylphenyl)-2-[(2E,5S)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[(2E,5S)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[(2E,5S)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide is Cc1cccc(C)c1NC(=O)C[C@@H]1S/C(=N/Nc2ccccc2)NC1=O.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[(2E,5S)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is MNPRMFQPFNYFDR-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-12-7-6-8-13(2)17(12)20-16(24)11-15-18(25)21-19(26-15)23-22-14-9-4-3-5-10-14/h3-10,15,22H,11H2,1-2H3,(H,20,24)(H,21,23,25)/t15-/m0/s1.
What are the key properties of N-(2,6-dimethylphenyl)-2-[(2E,5S)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[(2E,5S)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 368.46 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[(2E,5S)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135618409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).