2-(1-adamantyl)-N'-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]acetohydrazide

C17H25N3O3S — CID 9086058

IUPAC2-(1-adamantyl)-N'-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]acetohydrazide
SMILESO=C(CN1CCSC1=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H25N3O3S/c21-14(18-19-15(22)10-20-1-2-24-16(20)23)9-17-6-11-3-12(7-17)5-13(4-11)8-17/h11-13H,1-10H2,(H,18,21)(H,19,22)
InChIKeySBCVMXVKZGNUAQ-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.91
Rot. Bonds4

About 2-(1-adamantyl)-N'-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]acetohydrazide

2-(1-adamantyl)-N'-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]acetohydrazide (PubChem CID 9086058) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 2-(1-adamantyl)-N'-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(1-adamantyl)-N'-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]acetohydrazide
PubChem CID9086058
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name2-(1-adamantyl)-N'-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]acetohydrazide
SMILESO=C(CN1CCSC1=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H25N3O3S/c21-14(18-19-15(22)10-20-1-2-24-16(20)23)9-17-6-11-3-12(7-17)5-13(4-11)8-17/h11-13H,1-10H2,(H,18,21)(H,19,22)
InChIKeySBCVMXVKZGNUAQ-UHFFFAOYSA-N
XLogP1.91
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N'-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]acetohydrazide?
The IUPAC name of 2-(1-adamantyl)-N'-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]acetohydrazide (CID 9086058) is 2-(1-adamantyl)-N'-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]acetohydrazide.
What is the SMILES notation for 2-(1-adamantyl)-N'-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]acetohydrazide?
The canonical SMILES for 2-(1-adamantyl)-N'-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]acetohydrazide is O=C(CN1CCSC1=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N'-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]acetohydrazide?
The InChIKey is SBCVMXVKZGNUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c21-14(18-19-15(22)10-20-1-2-24-16(20)23)9-17-6-11-3-12(7-17)5-13(4-11)8-17/h11-13H,1-10H2,(H,18,21)(H,19,22).
What are the key properties of 2-(1-adamantyl)-N'-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]acetohydrazide?
2-(1-adamantyl)-N'-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]acetohydrazide has a molecular weight of 351.47 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N'-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]acetohydrazide is sourced from PubChem (CID 9086058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).