2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C21H23N3O4S2 — CID 3932221

IUPAC2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2c(=CC(=O)C(C)(C)C)sc(=Cc3ccc(C)s3)c2=O)no1
InChIInChI=1S/C21H23N3O4S2/c1-12-8-17(23-28-12)22-18(26)11-24-19(10-16(25)21(3,4)5)30-15(20(24)27)9-14-7-6-13(2)29-14/h6-10H,11H2,1-5H3,(H,22,23,26)
InChIKeyIHOPATFLBUFSNE-UHFFFAOYSA-N
MW445.57 g/mol
LogP2.44
Rot. Bonds5

About 2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 3932221) has the molecular formula C21H23N3O4S2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID3932221
Molecular FormulaC21H23N3O4S2
Molecular Weight445.57 g/mol
Exact Mass445.11
IUPAC Name2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2c(=CC(=O)C(C)(C)C)sc(=Cc3ccc(C)s3)c2=O)no1
InChIInChI=1S/C21H23N3O4S2/c1-12-8-17(23-28-12)22-18(26)11-24-19(10-16(25)21(3,4)5)30-15(20(24)27)9-14-7-6-13(2)29-14/h6-10H,11H2,1-5H3,(H,22,23,26)
InChIKeyIHOPATFLBUFSNE-UHFFFAOYSA-N
XLogP2.44
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 4007870
2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 146082697
2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(3-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-propylacetamide
CID 8716238
N-(5-methyl-1,2-oxazol-3-yl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23963812
N-(5-methyl-1,2-oxazol-3-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27161523
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 3533504
2-(2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110686831
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 121064039
ethyl 4-[5-[(E)-[(2Z)-3-[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoate
CID 84583207
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 17485513
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetamide
CID 71864510
N-(5-methyl-1,2-oxazol-3-yl)-2-[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide
CID 1341383

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 3932221) is 2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2c(=CC(=O)C(C)(C)C)sc(=Cc3ccc(C)s3)c2=O)no1.
What is the InChIKey of 2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is IHOPATFLBUFSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S2/c1-12-8-17(23-28-12)22-18(26)11-24-19(10-16(25)21(3,4)5)30-15(20(24)27)9-14-7-6-13(2)29-14/h6-10H,11H2,1-5H3,(H,22,23,26).
What are the key properties of 2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 445.57 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 3932221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).