2-[3-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide

C19H17N3O3S — CID 138388037

IUPAC2-[3-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide
SMILES[H]/N=C1\NC(=O)/C(=C/c2cccc(OCC(=O)Nc3cccc(C)c3)c2)S1
InChIInChI=1S/C19H17N3O3S/c1-12-4-2-6-14(8-12)21-17(23)11-25-15-7-3-5-13(9-15)10-16-18(24)22-19(20)26-16/h2-10H,11H2,1H3,(H,21,23)(H2,20,22,24)/b16-10-
InChIKeyPOFRJTLMHMPCPO-YBEGLDIGSA-N
MW367.43 g/mol
LogP3.15
Rot. Bonds5

About 2-[3-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide

2-[3-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide (PubChem CID 138388037) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-[3-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide
PubChem CID138388037
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name2-[3-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide
SMILES[H]/N=C1\NC(=O)/C(=C/c2cccc(OCC(=O)Nc3cccc(C)c3)c2)S1
InChIInChI=1S/C19H17N3O3S/c1-12-4-2-6-14(8-12)21-17(23)11-25-15-7-3-5-13(9-15)10-16-18(24)22-19(20)26-16/h2-10H,11H2,1H3,(H,21,23)(H2,20,22,24)/b16-10-
InChIKeyPOFRJTLMHMPCPO-YBEGLDIGSA-N
XLogP3.15
TPSA91.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 16634167
2-[4-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]-N-(3-methylphenyl)acetamide
CID 138388019
5-[[3-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 171128924
2-[4-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]-N-naphthalen-2-ylacetamide
CID 138387991
2-imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 171128369
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
N-(4-fluorophenyl)-2-[3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
CID 16634060
N-(4-hydroxyphenyl)-2-[4-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]acetamide
CID 138388018
2-[4-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 138387958
N-(3,4-dimethylphenyl)-2-[3-[[2-(2,3-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
CID 135447468
2-[3-[(Z)-[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126263114
2-[3-[(E)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126265917

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[3-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide (CID 138388037) is 2-[3-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[3-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide is [H]/N=C1\NC(=O)/C(=C/c2cccc(OCC(=O)Nc3cccc(C)c3)c2)S1.
What is the InChIKey of 2-[3-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide?
The InChIKey is POFRJTLMHMPCPO-YBEGLDIGSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-12-4-2-6-14(8-12)21-17(23)11-25-15-7-3-5-13(9-15)10-16-18(24)22-19(20)26-16/h2-10H,11H2,1H3,(H,21,23)(H2,20,22,24)/b16-10-.
What are the key properties of 2-[3-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide?
2-[3-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide has a molecular weight of 367.43 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 138388037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).