2-(3,3-dimethyl-2-oxobutylidene)-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-thiazolidin-4-one

C24H24N2O2S — CID 4790745

IUPAC2-(3,3-dimethyl-2-oxobutylidene)-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-thiazolidin-4-one
SMILESCCn1c2ccccc2c2cc(C=c3sc(=CC(=O)C(C)(C)C)[nH]c3=O)ccc21
InChIInChI=1S/C24H24N2O2S/c1-5-26-18-9-7-6-8-16(18)17-12-15(10-11-19(17)26)13-20-23(28)25-22(29-20)14-21(27)24(2,3)4/h6-14H,5H2,1-4H3,(H,25,28)
InChIKeyYSHBZEBGMNVGIV-UHFFFAOYSA-N
MW404.54 g/mol
LogP3.79
Rot. Bonds3

About 2-(3,3-dimethyl-2-oxobutylidene)-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-thiazolidin-4-one

2-(3,3-dimethyl-2-oxobutylidene)-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 4790745) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2-oxobutylidene)-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3,3-dimethyl-2-oxobutylidene)-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-thiazolidin-4-one
PubChem CID4790745
Molecular FormulaC24H24N2O2S
Molecular Weight404.54 g/mol
Exact Mass404.16
IUPAC Name2-(3,3-dimethyl-2-oxobutylidene)-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-thiazolidin-4-one
SMILESCCn1c2ccccc2c2cc(C=c3sc(=CC(=O)C(C)(C)C)[nH]c3=O)ccc21
InChIInChI=1S/C24H24N2O2S/c1-5-26-18-9-7-6-8-16(18)17-12-15(10-11-19(17)26)13-20-23(28)25-22(29-20)14-21(27)24(2,3)4/h6-14H,5H2,1-4H3,(H,25,28)
InChIKeyYSHBZEBGMNVGIV-UHFFFAOYSA-N
XLogP3.79
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2E,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 6212697
(2E,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 6388843
2-(3,3-dimethyl-2-oxobutylidene)-5-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 4786093
2-(3,3-dimethyl-2-oxobutylidene)-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 4795282
3-[(9-ethylcarbazol-3-yl)methylidene]-1H-indol-2-one
CID 69456553
3-(9-ethylcarbazol-3-yl)-2-fluoroprop-2-enoic acid
CID 79736980
9-ethylcarbazole-3-carboxylic acid
CID 4912869
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CID 122398920
2-[(9-ethylcarbazol-3-yl)methylidene]-1-phenylindol-3-one
CID 76840870
(2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-3-(9-ethylcarbazol-3-yl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile
CID 2428636
(E)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide
CID 55394225
(2E)-2-[(9-ethylcarbazol-3-yl)methylidene]-1-benzofuran-3-one
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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-2-oxobutylidene)-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3,3-dimethyl-2-oxobutylidene)-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-thiazolidin-4-one (CID 4790745) is 2-(3,3-dimethyl-2-oxobutylidene)-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3,3-dimethyl-2-oxobutylidene)-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3,3-dimethyl-2-oxobutylidene)-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-thiazolidin-4-one is CCn1c2ccccc2c2cc(C=c3sc(=CC(=O)C(C)(C)C)[nH]c3=O)ccc21.
What is the InChIKey of 2-(3,3-dimethyl-2-oxobutylidene)-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is YSHBZEBGMNVGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2S/c1-5-26-18-9-7-6-8-16(18)17-12-15(10-11-19(17)26)13-20-23(28)25-22(29-20)14-21(27)24(2,3)4/h6-14H,5H2,1-4H3,(H,25,28).
What are the key properties of 2-(3,3-dimethyl-2-oxobutylidene)-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-thiazolidin-4-one?
2-(3,3-dimethyl-2-oxobutylidene)-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 404.54 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2-oxobutylidene)-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 4790745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).