N-(2-cyanophenyl)-2-[(5R)-2-(3-methylbutan-2-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide

C17H19N5O2S — CID 137195508

IUPACN-(2-cyanophenyl)-2-[(5R)-2-(3-methylbutan-2-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCC(=NN=C1NC(=O)[C@@H](CC(=O)Nc2ccccc2C#N)S1)C(C)C
InChIInChI=1S/C17H19N5O2S/c1-10(2)11(3)21-22-17-20-16(24)14(25-17)8-15(23)19-13-7-5-4-6-12(13)9-18/h4-7,10,14H,8H2,1-3H3,(H,19,23)(H,20,22,24)/t14-/m1/s1
InChIKeyFTEVWDWNUBCIPJ-CQSZACIVSA-N
MW357.44 g/mol
LogP2.51
Rot. Bonds5

About N-(2-cyanophenyl)-2-[(5R)-2-(3-methylbutan-2-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(2-cyanophenyl)-2-[(5R)-2-(3-methylbutan-2-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 137195508) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[(5R)-2-(3-methylbutan-2-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[(5R)-2-(3-methylbutan-2-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID137195508
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC NameN-(2-cyanophenyl)-2-[(5R)-2-(3-methylbutan-2-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCC(=NN=C1NC(=O)[C@@H](CC(=O)Nc2ccccc2C#N)S1)C(C)C
InChIInChI=1S/C17H19N5O2S/c1-10(2)11(3)21-22-17-20-16(24)14(25-17)8-15(23)19-13-7-5-4-6-12(13)9-18/h4-7,10,14H,8H2,1-3H3,(H,19,23)(H,20,22,24)/t14-/m1/s1
InChIKeyFTEVWDWNUBCIPJ-CQSZACIVSA-N
XLogP2.51
TPSA106.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(4-fluorophenyl)-2-[(2Z)-2-[(E)-3-methylbutan-2-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135422562
N-(4-iodophenyl)-2-[(2E)-2-[(E)-3-methylbutan-2-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135588619
N-(3-chloro-4-methylphenyl)-2-[(5S)-2-(3-methylbutan-2-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 137216979
N-(2-methoxyphenyl)-2-[4-oxo-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135527947
N-(2-methoxyphenyl)-2-[(2E,5S)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135779978
N-(2-bromophenyl)-2-[(2E)-2-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135747373
N-(2,3-dimethylphenyl)-2-[(2E,5R)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135828395
N-(2,3-dimethylphenyl)-2-[(2E,5S)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135828396
2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-cyanophenyl)acetamide
CID 171982527
2-[(5R)-2-(3,3-dimethylbutan-2-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 137231455
N-(2-cyanophenyl)-2-[(2R)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
CID 1163980
2-[(2E,5R)-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide
CID 135659651

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[(5R)-2-(3-methylbutan-2-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[(5R)-2-(3-methylbutan-2-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 137195508) is N-(2-cyanophenyl)-2-[(5R)-2-(3-methylbutan-2-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[(5R)-2-(3-methylbutan-2-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[(5R)-2-(3-methylbutan-2-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide is CC(=NN=C1NC(=O)[C@@H](CC(=O)Nc2ccccc2C#N)S1)C(C)C.
What is the InChIKey of N-(2-cyanophenyl)-2-[(5R)-2-(3-methylbutan-2-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is FTEVWDWNUBCIPJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-10(2)11(3)21-22-17-20-16(24)14(25-17)8-15(23)19-13-7-5-4-6-12(13)9-18/h4-7,10,14H,8H2,1-3H3,(H,19,23)(H,20,22,24)/t14-/m1/s1.
What are the key properties of N-(2-cyanophenyl)-2-[(5R)-2-(3-methylbutan-2-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(2-cyanophenyl)-2-[(5R)-2-(3-methylbutan-2-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 357.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[(5R)-2-(3-methylbutan-2-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 137195508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).