(2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

C16H10ClNO2S2 — CID 91659362

IUPAC(2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C(/C=c1/[nH]c(=O)/c(=C/c2cccs2)s1)c1cccc(Cl)c1
InChIInChI=1S/C16H10ClNO2S2/c17-11-4-1-3-10(7-11)13(19)9-15-18-16(20)14(22-15)8-12-5-2-6-21-12/h1-9H,(H,18,20)/b14-8-,15-9-
InChIKeyLVYGUIJUANFZAY-SFGFDRCGSA-N
MW347.85 g/mol
LogP2.64
Rot. Bonds3

About (2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

(2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 91659362) has the molecular formula C16H10ClNO2S2 and a molecular weight of 347.85 g/mol. Its IUPAC name is (2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID91659362
Molecular FormulaC16H10ClNO2S2
Molecular Weight347.85 g/mol
Exact Mass346.98
IUPAC Name(2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C(/C=c1/[nH]c(=O)/c(=C/c2cccs2)s1)c1cccc(Cl)c1
InChIInChI=1S/C16H10ClNO2S2/c17-11-4-1-3-10(7-11)13(19)9-15-18-16(20)14(22-15)8-12-5-2-6-21-12/h1-9H,(H,18,20)/b14-8-,15-9-
InChIKeyLVYGUIJUANFZAY-SFGFDRCGSA-N
XLogP2.64
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (CID 91659362) is (2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is O=C(/C=c1/[nH]c(=O)/c(=C/c2cccs2)s1)c1cccc(Cl)c1.
What is the InChIKey of (2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is LVYGUIJUANFZAY-SFGFDRCGSA-N. The full InChI is InChI=1S/C16H10ClNO2S2/c17-11-4-1-3-10(7-11)13(19)9-15-18-16(20)14(22-15)8-12-5-2-6-21-12/h1-9H,(H,18,20)/b14-8-,15-9-.
What are the key properties of (2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
(2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 347.85 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 91659362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).