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

C13H8N2O3S2 — CID 167945632

IUPAC(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-(1,3-thiazol-5-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C(/C=c1/[nH]c(=O)/c(=C/c2cncs2)s1)c1ccco1
InChIInChI=1S/C13H8N2O3S2/c16-9(10-2-1-3-18-10)5-12-15-13(17)11(20-12)4-8-6-14-7-19-8/h1-7H,(H,15,17)/b11-4-,12-5-
InChIKeyWDTUDPWAAQSGJK-VQCVYIJISA-N
MW304.35 g/mol
LogP0.98
Rot. Bonds3

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

(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-(1,3-thiazol-5-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 167945632) has the molecular formula C13H8N2O3S2 and a molecular weight of 304.35 g/mol. Its IUPAC name is (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-(1,3-thiazol-5-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-(1,3-thiazol-5-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID167945632
Molecular FormulaC13H8N2O3S2
Molecular Weight304.35 g/mol
Exact Mass304.00
IUPAC Name(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-(1,3-thiazol-5-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C(/C=c1/[nH]c(=O)/c(=C/c2cncs2)s1)c1ccco1
InChIInChI=1S/C13H8N2O3S2/c16-9(10-2-1-3-18-10)5-12-15-13(17)11(20-12)4-8-6-14-7-19-8/h1-7H,(H,15,17)/b11-4-,12-5-
InChIKeyWDTUDPWAAQSGJK-VQCVYIJISA-N
XLogP0.98
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-(1,3-thiazol-5-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-(1,3-thiazol-5-ylmethylidene)-1,3-thiazolidin-4-one (CID 167945632) is (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-(1,3-thiazol-5-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-(1,3-thiazol-5-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-(1,3-thiazol-5-ylmethylidene)-1,3-thiazolidin-4-one is O=C(/C=c1/[nH]c(=O)/c(=C/c2cncs2)s1)c1ccco1.
What is the InChIKey of (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-(1,3-thiazol-5-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is WDTUDPWAAQSGJK-VQCVYIJISA-N. The full InChI is InChI=1S/C13H8N2O3S2/c16-9(10-2-1-3-18-10)5-12-15-13(17)11(20-12)4-8-6-14-7-19-8/h1-7H,(H,15,17)/b11-4-,12-5-.
What are the key properties of (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-(1,3-thiazol-5-ylmethylidene)-1,3-thiazolidin-4-one?
(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-(1,3-thiazol-5-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 304.35 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-(1,3-thiazol-5-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 167945632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).