N-(4-aminobutyl)-4-tert-butylthiadiazole-5-carboxamide

C11H20N4OS — CID 65204953

IUPACN-(4-aminobutyl)-4-tert-butylthiadiazole-5-carboxamide
SMILESCC(C)(C)c1nnsc1C(=O)NCCCCN
InChIInChI=1S/C11H20N4OS/c1-11(2,3)9-8(17-15-14-9)10(16)13-7-5-4-6-12/h4-7,12H2,1-3H3,(H,13,16)
InChIKeyRIFWVRLUAMHBSG-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.30
Rot. Bonds5

About N-(4-aminobutyl)-4-tert-butylthiadiazole-5-carboxamide

N-(4-aminobutyl)-4-tert-butylthiadiazole-5-carboxamide (PubChem CID 65204953) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(4-aminobutyl)-4-tert-butylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-4-tert-butylthiadiazole-5-carboxamide
PubChem CID65204953
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC NameN-(4-aminobutyl)-4-tert-butylthiadiazole-5-carboxamide
SMILESCC(C)(C)c1nnsc1C(=O)NCCCCN
InChIInChI=1S/C11H20N4OS/c1-11(2,3)9-8(17-15-14-9)10(16)13-7-5-4-6-12/h4-7,12H2,1-3H3,(H,13,16)
InChIKeyRIFWVRLUAMHBSG-UHFFFAOYSA-N
XLogP1.30
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-aminobutyl)-4-tert-butylthiadiazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-4-tert-butylthiadiazole-5-carboxamide?
The IUPAC name of N-(4-aminobutyl)-4-tert-butylthiadiazole-5-carboxamide (CID 65204953) is N-(4-aminobutyl)-4-tert-butylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-aminobutyl)-4-tert-butylthiadiazole-5-carboxamide?
The canonical SMILES for N-(4-aminobutyl)-4-tert-butylthiadiazole-5-carboxamide is CC(C)(C)c1nnsc1C(=O)NCCCCN.
What is the InChIKey of N-(4-aminobutyl)-4-tert-butylthiadiazole-5-carboxamide?
The InChIKey is RIFWVRLUAMHBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-11(2,3)9-8(17-15-14-9)10(16)13-7-5-4-6-12/h4-7,12H2,1-3H3,(H,13,16).
What are the key properties of N-(4-aminobutyl)-4-tert-butylthiadiazole-5-carboxamide?
N-(4-aminobutyl)-4-tert-butylthiadiazole-5-carboxamide has a molecular weight of 256.37 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-4-tert-butylthiadiazole-5-carboxamide is sourced from PubChem (CID 65204953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).