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

C18H27N3O3S — CID 18107727

IUPACN'-[2-(1-adamantyl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide
SMILESO=C(CCN1CCSC1=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H27N3O3S/c22-15(1-2-21-3-4-25-17(21)24)19-20-16(23)11-18-8-12-5-13(9-18)7-14(6-12)10-18/h12-14H,1-11H2,(H,19,22)(H,20,23)
InChIKeyBHBCQMFYZDDCDZ-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.30
Rot. Bonds5

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

N'-[2-(1-adamantyl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide (PubChem CID 18107727) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N'-[2-(1-adamantyl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(1-adamantyl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide
PubChem CID18107727
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN'-[2-(1-adamantyl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide
SMILESO=C(CCN1CCSC1=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H27N3O3S/c22-15(1-2-21-3-4-25-17(21)24)19-20-16(23)11-18-8-12-5-13(9-18)7-14(6-12)10-18/h12-14H,1-11H2,(H,19,22)(H,20,23)
InChIKeyBHBCQMFYZDDCDZ-UHFFFAOYSA-N
XLogP2.30
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.30
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 N'-[2-(1-adamantyl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide?
The IUPAC name of N'-[2-(1-adamantyl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide (CID 18107727) is N'-[2-(1-adamantyl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide.
What is the SMILES notation for N'-[2-(1-adamantyl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide?
The canonical SMILES for N'-[2-(1-adamantyl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide is O=C(CCN1CCSC1=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-[2-(1-adamantyl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide?
The InChIKey is BHBCQMFYZDDCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c22-15(1-2-21-3-4-25-17(21)24)19-20-16(23)11-18-8-12-5-13(9-18)7-14(6-12)10-18/h12-14H,1-11H2,(H,19,22)(H,20,23).
What are the key properties of N'-[2-(1-adamantyl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide?
N'-[2-(1-adamantyl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide has a molecular weight of 365.50 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-adamantyl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide is sourced from PubChem (CID 18107727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).