2-[(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide

C20H19N3O4S — CID 8810941

IUPAC2-[(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c(=O)/c(=C\c2ccccn2)s/c1=C\C(=O)c1ccco1
InChIInChI=1S/C20H19N3O4S/c1-2-8-22-18(25)13-23-19(12-15(24)16-7-5-10-27-16)28-17(20(23)26)11-14-6-3-4-9-21-14/h3-7,9-12H,2,8,13H2,1H3,(H,22,25)/b17-11+,19-12-
InChIKeyJTZUUXKUPHOJLR-YUQALFBESA-N
MW397.46 g/mol
LogP0.92
Rot. Bonds7

About 2-[(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide

2-[(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide (PubChem CID 8810941) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 2-[(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide
PubChem CID8810941
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name2-[(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c(=O)/c(=C\c2ccccn2)s/c1=C\C(=O)c1ccco1
InChIInChI=1S/C20H19N3O4S/c1-2-8-22-18(25)13-23-19(12-15(24)16-7-5-10-27-16)28-17(20(23)26)11-14-6-3-4-9-21-14/h3-7,9-12H,2,8,13H2,1H3,(H,22,25)/b17-11+,19-12-
InChIKeyJTZUUXKUPHOJLR-YUQALFBESA-N
XLogP0.92
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2-methylpropyl)acetamide
CID 8810937
2-[(2E,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-pentan-3-ylacetamide
CID 98690145
N-butan-2-yl-2-[5-[(4-fluorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 4963554
ethyl (2Z)-2-[(5Z)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2530567
(2Z,5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-2-(3,3-dimethyl-2-oxobutylidene)-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 8716164
2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide
CID 8716235
ethyl (2E)-2-[(5E)-5-[(4-cyanophenyl)methylidene]-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 74766451
2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(3-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-propylacetamide
CID 8716238
2-(2,5-dimethylpyrrol-1-yl)-N-propylacetamide
CID 43567559
2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide
CID 90828726
2-[(2Z,5E)-5-[(4-fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylacetamide
CID 17471818
2-(3,7-dibenzyl-2,6-dioxopurin-1-yl)-N-propylacetamide
CID 112773960

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide?
The IUPAC name of 2-[(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide (CID 8810941) is 2-[(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide.
What is the SMILES notation for 2-[(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide?
The canonical SMILES for 2-[(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide is CCCNC(=O)Cn1c(=O)/c(=C\c2ccccn2)s/c1=C\C(=O)c1ccco1.
What is the InChIKey of 2-[(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide?
The InChIKey is JTZUUXKUPHOJLR-YUQALFBESA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-2-8-22-18(25)13-23-19(12-15(24)16-7-5-10-27-16)28-17(20(23)26)11-14-6-3-4-9-21-14/h3-7,9-12H,2,8,13H2,1H3,(H,22,25)/b17-11+,19-12-.
What are the key properties of 2-[(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide?
2-[(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide has a molecular weight of 397.46 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide is sourced from PubChem (CID 8810941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).