N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]adamantane-1-carbohydrazide

C16H23N3O3S — CID 27549991

IUPACN'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]adamantane-1-carbohydrazide
SMILESO=C(CN1CSCC1=O)NNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H23N3O3S/c20-13(7-19-9-23-8-14(19)21)17-18-15(22)16-4-10-1-11(5-16)3-12(2-10)6-16/h10-12H,1-9H2,(H,17,20)(H,18,22)
InChIKeyAARYHZXYVWESDX-UHFFFAOYSA-N
MW337.45 g/mol
LogP0.88
Rot. Bonds3

About N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]adamantane-1-carbohydrazide

N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]adamantane-1-carbohydrazide (PubChem CID 27549991) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]adamantane-1-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]adamantane-1-carbohydrazide
PubChem CID27549991
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC NameN'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]adamantane-1-carbohydrazide
SMILESO=C(CN1CSCC1=O)NNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H23N3O3S/c20-13(7-19-9-23-8-14(19)21)17-18-15(22)16-4-10-1-11(5-16)3-12(2-10)6-16/h10-12H,1-9H2,(H,17,20)(H,18,22)
InChIKeyAARYHZXYVWESDX-UHFFFAOYSA-N
XLogP0.88
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]adamantane-1-carbohydrazide?
The IUPAC name of N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]adamantane-1-carbohydrazide (CID 27549991) is N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]adamantane-1-carbohydrazide.
What is the SMILES notation for N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]adamantane-1-carbohydrazide?
The canonical SMILES for N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]adamantane-1-carbohydrazide is O=C(CN1CSCC1=O)NNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]adamantane-1-carbohydrazide?
The InChIKey is AARYHZXYVWESDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c20-13(7-19-9-23-8-14(19)21)17-18-15(22)16-4-10-1-11(5-16)3-12(2-10)6-16/h10-12H,1-9H2,(H,17,20)(H,18,22).
What are the key properties of N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]adamantane-1-carbohydrazide?
N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]adamantane-1-carbohydrazide has a molecular weight of 337.45 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]adamantane-1-carbohydrazide is sourced from PubChem (CID 27549991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).