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

C15H10ClN3O3S2 — CID 5263531

IUPAC2-[3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(C=C1SC(=O)N(Cc2cccc(Cl)c2)C1=O)Nc1nccs1
InChIInChI=1S/C15H10ClN3O3S2/c16-10-3-1-2-9(6-10)8-19-13(21)11(24-15(19)22)7-12(20)18-14-17-4-5-23-14/h1-7H,8H2,(H,17,18,20)
InChIKeyLBAWMBTUXVUCBR-UHFFFAOYSA-N
MW379.85 g/mol
LogP3.51
Rot. Bonds4

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

2-[3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 5263531) has the molecular formula C15H10ClN3O3S2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 2-[3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID5263531
Molecular FormulaC15H10ClN3O3S2
Molecular Weight379.85 g/mol
Exact Mass378.99
IUPAC Name2-[3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(C=C1SC(=O)N(Cc2cccc(Cl)c2)C1=O)Nc1nccs1
InChIInChI=1S/C15H10ClN3O3S2/c16-10-3-1-2-9(6-10)8-19-13(21)11(24-15(19)22)7-12(20)18-14-17-4-5-23-14/h1-7H,8H2,(H,17,18,20)
InChIKeyLBAWMBTUXVUCBR-UHFFFAOYSA-N
XLogP3.51
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 53.51
H-Bond Donors ≤ 51
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

2-[3-[(3-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-(1,3-thiazol-2-yl)acetamide
CID 5263558
2-[2,4-dioxo-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethylidene]-1,3-thiazolidin-3-yl]acetic acid
CID 5263562
(2Z)-2-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-(1,3-thiazol-2-yl)acetamide
CID 23428690
(2Z)-N-(3-chlorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide
CID 17118377
2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 1382338
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 55541544
(5E)-3-[(3-bromophenyl)methyl]-5-[(3-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126158947
N-[2-(3-chlorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide
CID 110694067
2-[(5Z)-2,4-dioxo-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16632434
N-(3-chlorophenyl)-2-[4-oxo-3-(2-phenylethyl)-2-(2-phenylethylimino)-1,3-thiazolidin-5-ylidene]acetamide
CID 5042171
3-[[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid
CID 1235875
2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 18874073

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-(1,3-thiazol-2-yl)acetamide (CID 5263531) is 2-[3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-(1,3-thiazol-2-yl)acetamide is O=C(C=C1SC(=O)N(Cc2cccc(Cl)c2)C1=O)Nc1nccs1.
What is the InChIKey of 2-[3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is LBAWMBTUXVUCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O3S2/c16-10-3-1-2-9(6-10)8-19-13(21)11(24-15(19)22)7-12(20)18-14-17-4-5-23-14/h1-7H,8H2,(H,17,18,20).
What are the key properties of 2-[3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-(1,3-thiazol-2-yl)acetamide?
2-[3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 379.85 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 5263531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).