(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methylidene]-1,3-thiazolidin-4-one

C17H16N4O4S — CID 166359535

IUPAC(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C(/C=c1/[nH]c(=O)/c(=C/c2cn(CC3CCCO3)nn2)s1)c1ccco1
InChIInChI=1S/C17H16N4O4S/c22-13(14-4-2-6-25-14)8-16-18-17(23)15(26-16)7-11-9-21(20-19-11)10-12-3-1-5-24-12/h2,4,6-9,12H,1,3,5,10H2,(H,18,23)/b15-7-,16-8-
InChIKeyXHEXUDYLQGAWHF-DUGOVBPYSA-N
MW372.41 g/mol
LogP0.29
Rot. Bonds5

About (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methylidene]-1,3-thiazolidin-4-one

(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 166359535) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methylidene]-1,3-thiazolidin-4-one
PubChem CID166359535
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC Name(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C(/C=c1/[nH]c(=O)/c(=C/c2cn(CC3CCCO3)nn2)s1)c1ccco1
InChIInChI=1S/C17H16N4O4S/c22-13(14-4-2-6-25-14)8-16-18-17(23)15(26-16)7-11-9-21(20-19-11)10-12-3-1-5-24-12/h2,4,6-9,12H,1,3,5,10H2,(H,18,23)/b15-7-,16-8-
InChIKeyXHEXUDYLQGAWHF-DUGOVBPYSA-N
XLogP0.29
TPSA103.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(4-tert-butylphenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 4827606
(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 167769929
5-methyl-2-[(E)-2-[1-(oxolan-2-ylmethyl)triazol-4-yl]ethenyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 146108407
N'-[2-[[5-(4-fluorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]furan-2-carbohydrazide
CID 41259307
N'-[2-[[12-oxo-11-[[(2R)-oxolan-2-yl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]acetyl]furan-2-carbohydrazide
CID 41293466
N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 45236383
2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
CID 3152545
4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1-(oxolan-2-ylmethyl)triazole
CID 171110711
methyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate
CID 129414230
3-[1-(oxolan-2-ylmethyl)triazol-4-yl]propanoic acid
CID 107460718
[1-[[(2S)-oxolan-2-yl]methyl]triazol-4-yl]methanamine
CID 94339475
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]-2-phenyl-2H-pyrrol-5-one
CID 1080394

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methylidene]-1,3-thiazolidin-4-one (CID 166359535) is (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methylidene]-1,3-thiazolidin-4-one is O=C(/C=c1/[nH]c(=O)/c(=C/c2cn(CC3CCCO3)nn2)s1)c1ccco1.
What is the InChIKey of (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is XHEXUDYLQGAWHF-DUGOVBPYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c22-13(14-4-2-6-25-14)8-16-18-17(23)15(26-16)7-11-9-21(20-19-11)10-12-3-1-5-24-12/h2,4,6-9,12H,1,3,5,10H2,(H,18,23)/b15-7-,16-8-.
What are the key properties of (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methylidene]-1,3-thiazolidin-4-one?
(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 372.41 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 166359535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).