(2Z)-N-(1-adamantyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide

C15H20N2O2S — CID 17273292

IUPAC(2Z)-N-(1-adamantyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
SMILESO=C(/C=C1/NC(=O)CS1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H20N2O2S/c18-12(4-14-16-13(19)8-20-14)17-15-5-9-1-10(6-15)3-11(2-9)7-15/h4,9-11H,1-3,5-8H2,(H,16,19)(H,17,18)/b14-4-
InChIKeyMTLUQBRDRBZLLQ-CPSFFCFKSA-N
MW292.40 g/mol
LogP1.78
Rot. Bonds2

About (2Z)-N-(1-adamantyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide

(2Z)-N-(1-adamantyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide (PubChem CID 17273292) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is (2Z)-N-(1-adamantyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide.

Molecular Properties

Compound Name(2Z)-N-(1-adamantyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
PubChem CID17273292
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name(2Z)-N-(1-adamantyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
SMILESO=C(/C=C1/NC(=O)CS1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H20N2O2S/c18-12(4-14-16-13(19)8-20-14)17-15-5-9-1-10(6-15)3-11(2-9)7-15/h4,9-11H,1-3,5-8H2,(H,16,19)(H,17,18)/b14-4-
InChIKeyMTLUQBRDRBZLLQ-CPSFFCFKSA-N
XLogP1.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(1-adamantyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
The IUPAC name of (2Z)-N-(1-adamantyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide (CID 17273292) is (2Z)-N-(1-adamantyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide.
What is the SMILES notation for (2Z)-N-(1-adamantyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
The canonical SMILES for (2Z)-N-(1-adamantyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide is O=C(/C=C1/NC(=O)CS1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (2Z)-N-(1-adamantyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
The InChIKey is MTLUQBRDRBZLLQ-CPSFFCFKSA-N. The full InChI is InChI=1S/C15H20N2O2S/c18-12(4-14-16-13(19)8-20-14)17-15-5-9-1-10(6-15)3-11(2-9)7-15/h4,9-11H,1-3,5-8H2,(H,16,19)(H,17,18)/b14-4-.
What are the key properties of (2Z)-N-(1-adamantyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
(2Z)-N-(1-adamantyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide has a molecular weight of 292.40 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(1-adamantyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide is sourced from PubChem (CID 17273292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).