(2Z,5Z)-5-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylidene]-2-(3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one

C20H23N3O3S — CID 9211115

IUPAC(2Z,5Z)-5-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylidene]-2-(3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one
SMILESCc1cc(-n2c(C)cc(/C=c3\s/c(=C\C(=O)C(C)(C)C)[nH]c3=O)c2C)no1
InChIInChI=1S/C20H23N3O3S/c1-11-7-14(13(3)23(11)17-8-12(2)26-22-17)9-15-19(25)21-18(27-15)10-16(24)20(4,5)6/h7-10H,1-6H3,(H,21,25)/b15-9-,18-10-
InChIKeyHQAVCTLFDIKMFS-XLHPTYDUSA-N
MW385.49 g/mol
LogP2.36
Rot. Bonds3

About (2Z,5Z)-5-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylidene]-2-(3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one

(2Z,5Z)-5-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylidene]-2-(3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one (PubChem CID 9211115) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is (2Z,5Z)-5-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylidene]-2-(3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-5-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylidene]-2-(3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one
PubChem CID9211115
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name(2Z,5Z)-5-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylidene]-2-(3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one
SMILESCc1cc(-n2c(C)cc(/C=c3\s/c(=C\C(=O)C(C)(C)C)[nH]c3=O)c2C)no1
InChIInChI=1S/C20H23N3O3S/c1-11-7-14(13(3)23(11)17-8-12(2)26-22-17)9-15-19(25)21-18(27-15)10-16(24)20(4,5)6/h7-10H,1-6H3,(H,21,25)/b15-9-,18-10-
InChIKeyHQAVCTLFDIKMFS-XLHPTYDUSA-N
XLogP2.36
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2Z,5Z)-5-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylidene]-2-(3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-5-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylidene]-2-(3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-5-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylidene]-2-(3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one (CID 9211115) is (2Z,5Z)-5-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylidene]-2-(3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-5-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylidene]-2-(3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-5-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylidene]-2-(3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one is Cc1cc(-n2c(C)cc(/C=c3\s/c(=C\C(=O)C(C)(C)C)[nH]c3=O)c2C)no1.
What is the InChIKey of (2Z,5Z)-5-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylidene]-2-(3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one?
The InChIKey is HQAVCTLFDIKMFS-XLHPTYDUSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-11-7-14(13(3)23(11)17-8-12(2)26-22-17)9-15-19(25)21-18(27-15)10-16(24)20(4,5)6/h7-10H,1-6H3,(H,21,25)/b15-9-,18-10-.
What are the key properties of (2Z,5Z)-5-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylidene]-2-(3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one?
(2Z,5Z)-5-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylidene]-2-(3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one has a molecular weight of 385.49 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-5-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylidene]-2-(3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 9211115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).