N-(3,4-dimethoxyphenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide

C16H19N3O4S — CID 135535522

IUPACN-(3,4-dimethoxyphenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide
SMILESC=CC/N=C1\NC(=O)C(CC(=O)Nc2ccc(OC)c(OC)c2)S1
InChIInChI=1S/C16H19N3O4S/c1-4-7-17-16-19-15(21)13(24-16)9-14(20)18-10-5-6-11(22-2)12(8-10)23-3/h4-6,8,13H,1,7,9H2,2-3H3,(H,18,20)(H,17,19,21)
InChIKeyIMJOKXMOFQUMRE-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.81
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide

N-(3,4-dimethoxyphenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide (PubChem CID 135535522) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide
PubChem CID135535522
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide
SMILESC=CC/N=C1\NC(=O)C(CC(=O)Nc2ccc(OC)c(OC)c2)S1
InChIInChI=1S/C16H19N3O4S/c1-4-7-17-16-19-15(21)13(24-16)9-14(20)18-10-5-6-11(22-2)12(8-10)23-3/h4-6,8,13H,1,7,9H2,2-3H3,(H,18,20)(H,17,19,21)
InChIKeyIMJOKXMOFQUMRE-UHFFFAOYSA-N
XLogP1.81
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide
CID 135682444
N-(3-chloro-4-methoxyphenyl)-2-[(5R)-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135836348
2-[(2E,5S)-2-[(Z)-1-(3,4-dimethoxyphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135572168
N-(3-chloro-4-methoxyphenyl)-2-[(5S)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135705036
N-naphthalen-1-yl-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide
CID 135673184
N-(3-chloro-4-methylphenyl)-2-[(2E,5R)-2-[(Z)-1-(3,4-dimethoxyphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135852772
N-benzyl-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide
CID 135952194
N-(3,4-dimethoxyphenyl)-2-[(5S)-2-[(R)-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-(4-methylphenyl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 136915715
2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 135691436
N-(2-nitrophenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide
CID 135449402
2-(2-benzylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(2,5-dimethoxyphenyl)acetamide
CID 135481479
N-(4-bromophenyl)-2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691443

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide (CID 135535522) is N-(3,4-dimethoxyphenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide is C=CC/N=C1\NC(=O)C(CC(=O)Nc2ccc(OC)c(OC)c2)S1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is IMJOKXMOFQUMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-4-7-17-16-19-15(21)13(24-16)9-14(20)18-10-5-6-11(22-2)12(8-10)23-3/h4-6,8,13H,1,7,9H2,2-3H3,(H,18,20)(H,17,19,21).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide?
N-(3,4-dimethoxyphenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 349.41 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 135535522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).