2-(1-methylidene-5-morpholin-4-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid

C10H14N2O4S2 — CID 88678223

IUPAC2-(1-methylidene-5-morpholin-4-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
SMILESC=S1C(=S)N(CC(=O)O)C(=O)C1N1CCOCC1
InChIInChI=1S/C10H14N2O4S2/c1-18-9(11-2-4-16-5-3-11)8(15)12(10(18)17)6-7(13)14/h9H,1-6H2,(H,13,14)
InChIKeyNAUMQOSVZOIZHA-UHFFFAOYSA-N
MW290.37 g/mol
LogP-0.44
Rot. Bonds3

About 2-(1-methylidene-5-morpholin-4-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid

2-(1-methylidene-5-morpholin-4-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid (PubChem CID 88678223) has the molecular formula C10H14N2O4S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(1-methylidene-5-morpholin-4-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methylidene-5-morpholin-4-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
PubChem CID88678223
Molecular FormulaC10H14N2O4S2
Molecular Weight290.37 g/mol
Exact Mass290.04
IUPAC Name2-(1-methylidene-5-morpholin-4-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
SMILESC=S1C(=S)N(CC(=O)O)C(=O)C1N1CCOCC1
InChIInChI=1S/C10H14N2O4S2/c1-18-9(11-2-4-16-5-3-11)8(15)12(10(18)17)6-7(13)14/h9H,1-6H2,(H,13,14)
InChIKeyNAUMQOSVZOIZHA-UHFFFAOYSA-N
XLogP-0.44
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylidene-5-morpholin-4-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid?
The IUPAC name of 2-(1-methylidene-5-morpholin-4-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid (CID 88678223) is 2-(1-methylidene-5-morpholin-4-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-methylidene-5-morpholin-4-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid?
The canonical SMILES for 2-(1-methylidene-5-morpholin-4-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid is C=S1C(=S)N(CC(=O)O)C(=O)C1N1CCOCC1.
What is the InChIKey of 2-(1-methylidene-5-morpholin-4-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid?
The InChIKey is NAUMQOSVZOIZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S2/c1-18-9(11-2-4-16-5-3-11)8(15)12(10(18)17)6-7(13)14/h9H,1-6H2,(H,13,14).
What are the key properties of 2-(1-methylidene-5-morpholin-4-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid?
2-(1-methylidene-5-morpholin-4-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid has a molecular weight of 290.37 g/mol, XLogP of -0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylidene-5-morpholin-4-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid is sourced from PubChem (CID 88678223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).