N'-[2-(1-adamantyl)acetyl]-4-ethylthiadiazole-5-carbohydrazide

C17H24N4O2S — CID 31800500

IUPACN'-[2-(1-adamantyl)acetyl]-4-ethylthiadiazole-5-carbohydrazide
SMILESCCc1nnsc1C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H24N4O2S/c1-2-13-15(24-21-18-13)16(23)20-19-14(22)9-17-6-10-3-11(7-17)5-12(4-10)8-17/h10-12H,2-9H2,1H3,(H,19,22)(H,20,23)
InChIKeyUAQNDGVGQMLOPF-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.47
Rot. Bonds4

About N'-[2-(1-adamantyl)acetyl]-4-ethylthiadiazole-5-carbohydrazide

N'-[2-(1-adamantyl)acetyl]-4-ethylthiadiazole-5-carbohydrazide (PubChem CID 31800500) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N'-[2-(1-adamantyl)acetyl]-4-ethylthiadiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(1-adamantyl)acetyl]-4-ethylthiadiazole-5-carbohydrazide
PubChem CID31800500
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN'-[2-(1-adamantyl)acetyl]-4-ethylthiadiazole-5-carbohydrazide
SMILESCCc1nnsc1C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H24N4O2S/c1-2-13-15(24-21-18-13)16(23)20-19-14(22)9-17-6-10-3-11(7-17)5-12(4-10)8-17/h10-12H,2-9H2,1H3,(H,19,22)(H,20,23)
InChIKeyUAQNDGVGQMLOPF-UHFFFAOYSA-N
XLogP2.47
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(1-adamantyl)acetyl]-4-ethylthiadiazole-5-carbohydrazide?
The IUPAC name of N'-[2-(1-adamantyl)acetyl]-4-ethylthiadiazole-5-carbohydrazide (CID 31800500) is N'-[2-(1-adamantyl)acetyl]-4-ethylthiadiazole-5-carbohydrazide.
What is the SMILES notation for N'-[2-(1-adamantyl)acetyl]-4-ethylthiadiazole-5-carbohydrazide?
The canonical SMILES for N'-[2-(1-adamantyl)acetyl]-4-ethylthiadiazole-5-carbohydrazide is CCc1nnsc1C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-[2-(1-adamantyl)acetyl]-4-ethylthiadiazole-5-carbohydrazide?
The InChIKey is UAQNDGVGQMLOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-2-13-15(24-21-18-13)16(23)20-19-14(22)9-17-6-10-3-11(7-17)5-12(4-10)8-17/h10-12H,2-9H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N'-[2-(1-adamantyl)acetyl]-4-ethylthiadiazole-5-carbohydrazide?
N'-[2-(1-adamantyl)acetyl]-4-ethylthiadiazole-5-carbohydrazide has a molecular weight of 348.47 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-adamantyl)acetyl]-4-ethylthiadiazole-5-carbohydrazide is sourced from PubChem (CID 31800500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).