(2E)-2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one

C9H9N3O2S2 — CID 162645972

IUPAC(2E)-2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one
SMILESCC(=O)c1sc(/N=C2\NC(=O)CS2)nc1C
InChIInChI=1S/C9H9N3O2S2/c1-4-7(5(2)13)16-9(10-4)12-8-11-6(14)3-15-8/h3H2,1-2H3,(H,10,11,12,14)
InChIKeyPPAUCUUXYUTDIE-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.50
Rot. Bonds2

About (2E)-2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one

(2E)-2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one (PubChem CID 162645972) has the molecular formula C9H9N3O2S2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (2E)-2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one
PubChem CID162645972
Molecular FormulaC9H9N3O2S2
Molecular Weight255.32 g/mol
Exact Mass255.01
IUPAC Name(2E)-2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one
SMILESCC(=O)c1sc(/N=C2\NC(=O)CS2)nc1C
InChIInChI=1S/C9H9N3O2S2/c1-4-7(5(2)13)16-9(10-4)12-8-11-6(14)3-15-8/h3H2,1-2H3,(H,10,11,12,14)
InChIKeyPPAUCUUXYUTDIE-UHFFFAOYSA-N
XLogP1.50
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one (CID 162645972) is (2E)-2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one is CC(=O)c1sc(/N=C2\NC(=O)CS2)nc1C.
What is the InChIKey of (2E)-2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one?
The InChIKey is PPAUCUUXYUTDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S2/c1-4-7(5(2)13)16-9(10-4)12-8-11-6(14)3-15-8/h3H2,1-2H3,(H,10,11,12,14).
What are the key properties of (2E)-2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one?
(2E)-2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one has a molecular weight of 255.32 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 162645972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).