(2E,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one

C20H19NO2S — CID 7973041

IUPAC(2E,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C\c2cccc3ccccc23)s1
InChIInChI=1S/C20H19NO2S/c1-20(2,3)17(22)12-18-21-19(23)16(24-18)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-12H,1-3H3,(H,21,23)/b16-11+,18-12+
InChIKeyZPVATXQSDFTTSP-QYYRWZOBSA-N
MW337.44 g/mol
LogP2.81
Rot. Bonds2

About (2E,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one

(2E,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 7973041) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is (2E,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID7973041
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC Name(2E,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C\c2cccc3ccccc23)s1
InChIInChI=1S/C20H19NO2S/c1-20(2,3)17(22)12-18-21-19(23)16(24-18)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-12H,1-3H3,(H,21,23)/b16-11+,18-12+
InChIKeyZPVATXQSDFTTSP-QYYRWZOBSA-N
XLogP2.81
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2E,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one (CID 7973041) is (2E,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one is CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C\c2cccc3ccccc23)s1.
What is the InChIKey of (2E,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is ZPVATXQSDFTTSP-QYYRWZOBSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-20(2,3)17(22)12-18-21-19(23)16(24-18)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-12H,1-3H3,(H,21,23)/b16-11+,18-12+.
What are the key properties of (2E,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one?
(2E,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 337.44 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 7973041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).