(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one

C19H12N2O3S — CID 167769929

IUPAC(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C(/C=c1/[nH]c(=O)/c(=C/c2ccc3ncccc3c2)s1)c1ccco1
InChIInChI=1S/C19H12N2O3S/c22-15(16-4-2-8-24-16)11-18-21-19(23)17(25-18)10-12-5-6-14-13(9-12)3-1-7-20-14/h1-11H,(H,21,23)/b17-10-,18-11-
InChIKeyHLUYIPIOKHALSQ-IWSCKCOWSA-N
MW348.38 g/mol
LogP2.07
Rot. Bonds3

About (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one

(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 167769929) has the molecular formula C19H12N2O3S and a molecular weight of 348.38 g/mol. Its IUPAC name is (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID167769929
Molecular FormulaC19H12N2O3S
Molecular Weight348.38 g/mol
Exact Mass348.06
IUPAC Name(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C(/C=c1/[nH]c(=O)/c(=C/c2ccc3ncccc3c2)s1)c1ccco1
InChIInChI=1S/C19H12N2O3S/c22-15(16-4-2-8-24-16)11-18-21-19(23)17(25-18)10-12-5-6-14-13(9-12)3-1-7-20-14/h1-11H,(H,21,23)/b17-10-,18-11-
InChIKeyHLUYIPIOKHALSQ-IWSCKCOWSA-N
XLogP2.07
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (CID 167769929) is (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is O=C(/C=c1/[nH]c(=O)/c(=C/c2ccc3ncccc3c2)s1)c1ccco1.
What is the InChIKey of (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is HLUYIPIOKHALSQ-IWSCKCOWSA-N. The full InChI is InChI=1S/C19H12N2O3S/c22-15(16-4-2-8-24-16)11-18-21-19(23)17(25-18)10-12-5-6-14-13(9-12)3-1-7-20-14/h1-11H,(H,21,23)/b17-10-,18-11-.
What are the key properties of (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 348.38 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 167769929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).