3-acetamido-N-(5-pentyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide

C20H30N4O2S — CID 24683823

IUPAC3-acetamido-N-(5-pentyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide
SMILESCCCCCc1nnc(NC(=O)C23CC4CC(CC(NC(C)=O)(C4)C2)C3)s1
InChIInChI=1S/C20H30N4O2S/c1-3-4-5-6-16-23-24-18(27-16)21-17(26)19-8-14-7-15(9-19)11-20(10-14,12-19)22-13(2)25/h14-15H,3-12H2,1-2H3,(H,22,25)(H,21,24,26)
InChIKeyVEOVMDRBJCQVQL-UHFFFAOYSA-N
MW390.55 g/mol
LogP3.68
Rot. Bonds7

About 3-acetamido-N-(5-pentyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide

3-acetamido-N-(5-pentyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide (PubChem CID 24683823) has the molecular formula C20H30N4O2S and a molecular weight of 390.55 g/mol. Its IUPAC name is 3-acetamido-N-(5-pentyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide.

Molecular Properties

Compound Name3-acetamido-N-(5-pentyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide
PubChem CID24683823
Molecular FormulaC20H30N4O2S
Molecular Weight390.55 g/mol
Exact Mass390.21
IUPAC Name3-acetamido-N-(5-pentyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide
SMILESCCCCCc1nnc(NC(=O)C23CC4CC(CC(NC(C)=O)(C4)C2)C3)s1
InChIInChI=1S/C20H30N4O2S/c1-3-4-5-6-16-23-24-18(27-16)21-17(26)19-8-14-7-15(9-19)11-20(10-14,12-19)22-13(2)25/h14-15H,3-12H2,1-2H3,(H,22,25)(H,21,24,26)
InChIKeyVEOVMDRBJCQVQL-UHFFFAOYSA-N
XLogP3.68
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-acetamido-N-(5-pentyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S,7R)-3-acetamido-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide
CID 30803688
3-acetamido-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 2999599
(5S,7R)-3-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide
CID 7718666
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
N-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide
CID 82176478
(5S,7R)-3-acetamido-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]adamantane-1-carboxamide
CID 95044326
3-acetamido-N-(6-methyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide
CID 42904431
1-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
CID 119265205
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide
CID 17144240
N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 19181493

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(5-pentyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide?
The IUPAC name of 3-acetamido-N-(5-pentyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide (CID 24683823) is 3-acetamido-N-(5-pentyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide.
What is the SMILES notation for 3-acetamido-N-(5-pentyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide?
The canonical SMILES for 3-acetamido-N-(5-pentyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide is CCCCCc1nnc(NC(=O)C23CC4CC(CC(NC(C)=O)(C4)C2)C3)s1.
What is the InChIKey of 3-acetamido-N-(5-pentyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide?
The InChIKey is VEOVMDRBJCQVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2S/c1-3-4-5-6-16-23-24-18(27-16)21-17(26)19-8-14-7-15(9-19)11-20(10-14,12-19)22-13(2)25/h14-15H,3-12H2,1-2H3,(H,22,25)(H,21,24,26).
What are the key properties of 3-acetamido-N-(5-pentyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide?
3-acetamido-N-(5-pentyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide has a molecular weight of 390.55 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(5-pentyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide is sourced from PubChem (CID 24683823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).