(5Z)-3-(2-methoxyethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

C11H11NO2S3 — CID 2179877

IUPAC(5Z)-3-(2-methoxyethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCOCCN1C(=O)/C(=C/c2cccs2)SC1=S
InChIInChI=1S/C11H11NO2S3/c1-14-5-4-12-10(13)9(17-11(12)15)7-8-3-2-6-16-8/h2-3,6-7H,4-5H2,1H3/b9-7-
InChIKeyOKLYVUSGXJYLPP-CLFYSBASSA-N
MW285.41 g/mol
LogP2.60
Rot. Bonds4

About (5Z)-3-(2-methoxyethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

(5Z)-3-(2-methoxyethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 2179877) has the molecular formula C11H11NO2S3 and a molecular weight of 285.41 g/mol. Its IUPAC name is (5Z)-3-(2-methoxyethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(2-methoxyethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID2179877
Molecular FormulaC11H11NO2S3
Molecular Weight285.41 g/mol
Exact Mass285.00
IUPAC Name(5Z)-3-(2-methoxyethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCOCCN1C(=O)/C(=C/c2cccs2)SC1=S
InChIInChI=1S/C11H11NO2S3/c1-14-5-4-12-10(13)9(17-11(12)15)7-8-3-2-6-16-8/h2-3,6-7H,4-5H2,1H3/b9-7-
InChIKeyOKLYVUSGXJYLPP-CLFYSBASSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(2-methoxyethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-(2-methoxyethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (CID 2179877) is (5Z)-3-(2-methoxyethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-(2-methoxyethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-(2-methoxyethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is COCCN1C(=O)/C(=C/c2cccs2)SC1=S.
What is the InChIKey of (5Z)-3-(2-methoxyethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is OKLYVUSGXJYLPP-CLFYSBASSA-N. The full InChI is InChI=1S/C11H11NO2S3/c1-14-5-4-12-10(13)9(17-11(12)15)7-8-3-2-6-16-8/h2-3,6-7H,4-5H2,1H3/b9-7-.
What are the key properties of (5Z)-3-(2-methoxyethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-3-(2-methoxyethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 285.41 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(2-methoxyethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 2179877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).