2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide

C11H12N4O2S2 — CID 135456867

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
SMILESCc1cc(C)nc(SCC(=O)/N=C2\NC(=O)CS2)n1
InChIInChI=1S/C11H12N4O2S2/c1-6-3-7(2)13-10(12-6)18-4-8(16)14-11-15-9(17)5-19-11/h3H,4-5H2,1-2H3,(H,14,15,16,17)
InChIKeyGKSGNMQSINJXJJ-UHFFFAOYSA-N
MW296.38 g/mol
LogP0.93
Rot. Bonds3

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide (PubChem CID 135456867) has the molecular formula C11H12N4O2S2 and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
PubChem CID135456867
Molecular FormulaC11H12N4O2S2
Molecular Weight296.38 g/mol
Exact Mass296.04
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
SMILESCc1cc(C)nc(SCC(=O)/N=C2\NC(=O)CS2)n1
InChIInChI=1S/C11H12N4O2S2/c1-6-3-7(2)13-10(12-6)18-4-8(16)14-11-15-9(17)5-19-11/h3H,4-5H2,1-2H3,(H,14,15,16,17)
InChIKeyGKSGNMQSINJXJJ-UHFFFAOYSA-N
XLogP0.93
TPSA84.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 50.93
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 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide (CID 135456867) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide is Cc1cc(C)nc(SCC(=O)/N=C2\NC(=O)CS2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
The InChIKey is GKSGNMQSINJXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S2/c1-6-3-7(2)13-10(12-6)18-4-8(16)14-11-15-9(17)5-19-11/h3H,4-5H2,1-2H3,(H,14,15,16,17).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide has a molecular weight of 296.38 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide is sourced from PubChem (CID 135456867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).