N-[(4-methoxyphenyl)methyl]-2-[(2E)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide

C16H20N4O3S — CID 135922742

IUPACN-[(4-methoxyphenyl)methyl]-2-[(2E)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1ccc(CNC(=O)CC2S/C(=N/N=C(C)C)NC2=O)cc1
InChIInChI=1S/C16H20N4O3S/c1-10(2)19-20-16-18-15(22)13(24-16)8-14(21)17-9-11-4-6-12(23-3)7-5-11/h4-7,13H,8-9H2,1-3H3,(H,17,21)(H,18,20,22)
InChIKeyPSLLZJFHDQTTOR-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.68
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2-[(2E)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide

N-[(4-methoxyphenyl)methyl]-2-[(2E)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135922742) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[(2E)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-[(2E)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
PubChem CID135922742
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-[(2E)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1ccc(CNC(=O)CC2S/C(=N/N=C(C)C)NC2=O)cc1
InChIInChI=1S/C16H20N4O3S/c1-10(2)19-20-16-18-15(22)13(24-16)8-14(21)17-9-11-4-6-12(23-3)7-5-11/h4-7,13H,8-9H2,1-3H3,(H,17,21)(H,18,20,22)
InChIKeyPSLLZJFHDQTTOR-UHFFFAOYSA-N
XLogP1.68
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.68
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

2-[(2E)-2-(butan-2-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 135666051
2-[(2Z,5S)-2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135927839
N-(4-ethoxyphenyl)-2-[(2Z,5R)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 136661837
N-benzyl-2-[(2E,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135828406
N-benzyl-2-[(5S)-4-oxo-2-(1-phenylpropylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 137206935
N-(4-bromophenyl)-2-[(2E,5S)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 136671598
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135427527
4-[[2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]butanoic acid
CID 135417461
N-butyl-2-[(2Z)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135810737
2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 137206228
(2E,5S)-2-[(E)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135749663
(2E,5R)-5-[(4-chlorophenyl)methyl]-2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135617322

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[(2E)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[(2E)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide (CID 135922742) is N-[(4-methoxyphenyl)methyl]-2-[(2E)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[(2E)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[(2E)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide is COc1ccc(CNC(=O)CC2S/C(=N/N=C(C)C)NC2=O)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[(2E)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is PSLLZJFHDQTTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-10(2)19-20-16-18-15(22)13(24-16)8-14(21)17-9-11-4-6-12(23-3)7-5-11/h4-7,13H,8-9H2,1-3H3,(H,17,21)(H,18,20,22).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[(2E)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide?
N-[(4-methoxyphenyl)methyl]-2-[(2E)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 348.43 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-[(2E)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135922742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).