(2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]acetamide

C17H15N3O3S2 — CID 7221094

IUPAC(2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccc(Cc2cnc(NC(=O)/C=C3\SC(=O)NC3=O)s2)cc1
InChIInChI=1S/C17H15N3O3S2/c1-2-10-3-5-11(6-4-10)7-12-9-18-16(24-12)19-14(21)8-13-15(22)20-17(23)25-13/h3-6,8-9H,2,7H2,1H3,(H,18,19,21)(H,20,22,23)/b13-8-
InChIKeyDMIAADONZHDBAL-JYRVWZFOSA-N
MW373.46 g/mol
LogP3.10
Rot. Bonds5

About (2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]acetamide

(2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 7221094) has the molecular formula C17H15N3O3S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is (2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name(2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID7221094
Molecular FormulaC17H15N3O3S2
Molecular Weight373.46 g/mol
Exact Mass373.06
IUPAC Name(2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccc(Cc2cnc(NC(=O)/C=C3\SC(=O)NC3=O)s2)cc1
InChIInChI=1S/C17H15N3O3S2/c1-2-10-3-5-11(6-4-10)7-12-9-18-16(24-12)19-14(21)8-13-15(22)20-17(23)25-13/h3-6,8-9H,2,7H2,1H3,(H,18,19,21)(H,20,22,23)/b13-8-
InChIKeyDMIAADONZHDBAL-JYRVWZFOSA-N
XLogP3.10
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 7221097
4-ethyl-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 18876296
N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 4908814
(E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 2177042
N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-yl-2-sulfanylideneacetamide
CID 162395574
N-(5-benzyl-1,3-thiazol-2-yl)-6-ethyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 4911897
potassium (2Z)-2-(2,4-dioxo-1,3-thiazolidin-3-id-5-ylidene)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 23694717
(2Z)-N-(4-acetylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
CID 18809133
2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-sulfanylphenyl)acetamide
CID 4737190
N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-4-hexoxybenzamide
CID 4591087
3-(3,4-dichlorophenyl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 1113599
5-[[4-(4-ethylphenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 141228477

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of (2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]acetamide (CID 7221094) is (2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for (2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for (2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]acetamide is CCc1ccc(Cc2cnc(NC(=O)/C=C3\SC(=O)NC3=O)s2)cc1.
What is the InChIKey of (2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is DMIAADONZHDBAL-JYRVWZFOSA-N. The full InChI is InChI=1S/C17H15N3O3S2/c1-2-10-3-5-11(6-4-10)7-12-9-18-16(24-12)19-14(21)8-13-15(22)20-17(23)25-13/h3-6,8-9H,2,7H2,1H3,(H,18,19,21)(H,20,22,23)/b13-8-.
What are the key properties of (2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
(2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 373.46 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 7221094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).