1-(4-tert-butylthiadiazol-5-yl)pentan-1-amine

C11H21N3S — CID 105125244

IUPAC1-(4-tert-butylthiadiazol-5-yl)pentan-1-amine
SMILESCCCCC(N)c1snnc1C(C)(C)C
InChIInChI=1S/C11H21N3S/c1-5-6-7-8(12)9-10(11(2,3)4)13-14-15-9/h8H,5-7,12H2,1-4H3
InChIKeyHNDRJNNKGDEOBA-UHFFFAOYSA-N
MW227.38 g/mol
LogP3.03
Rot. Bonds4

About 1-(4-tert-butylthiadiazol-5-yl)pentan-1-amine

1-(4-tert-butylthiadiazol-5-yl)pentan-1-amine (PubChem CID 105125244) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)pentan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)pentan-1-amine
PubChem CID105125244
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)pentan-1-amine
SMILESCCCCC(N)c1snnc1C(C)(C)C
InChIInChI=1S/C11H21N3S/c1-5-6-7-8(12)9-10(11(2,3)4)13-14-15-9/h8H,5-7,12H2,1-4H3
InChIKeyHNDRJNNKGDEOBA-UHFFFAOYSA-N
XLogP3.03
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-tert-butylthiadiazol-5-yl)pentan-1-amine 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

1-(4-tert-butylthiadiazol-5-yl)-N-methylpentan-1-amine
CID 105125643
1-(4-tert-butylthiadiazol-5-yl)heptan-1-ol
CID 105085352
1-(4-tert-butylthiadiazol-5-yl)pent-4-en-1-amine
CID 105153331
1-(4-tert-butylthiadiazol-5-yl)nonan-1-ol
CID 105085797
1-(4-tert-butylthiadiazol-5-yl)hex-4-yn-1-amine
CID 105181379
1-(4-tert-butylthiadiazol-5-yl)heptylhydrazine
CID 105294114
1-(4-tert-butylthiadiazol-5-yl)-2-cyclopropylethanamine
CID 105152767
1-(4-tert-butylthiadiazol-5-yl)-N-propylhexan-1-amine
CID 105129802
1-(4-tert-butylthiadiazol-5-yl)-2-cyclohexylethanamine
CID 105135537
1-(4-tert-butylthiadiazol-5-yl)-2-methylpentan-1-ol
CID 107894724
1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-difluorophenyl)ethanamine
CID 105117237
1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethanamine
CID 105190570

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)pentan-1-amine?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)pentan-1-amine (CID 105125244) is 1-(4-tert-butylthiadiazol-5-yl)pentan-1-amine.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)pentan-1-amine?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)pentan-1-amine is CCCCC(N)c1snnc1C(C)(C)C.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)pentan-1-amine?
The InChIKey is HNDRJNNKGDEOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-5-6-7-8(12)9-10(11(2,3)4)13-14-15-9/h8H,5-7,12H2,1-4H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)pentan-1-amine?
1-(4-tert-butylthiadiazol-5-yl)pentan-1-amine has a molecular weight of 227.38 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylthiadiazol-5-yl)pentan-1-amine is sourced from PubChem (CID 105125244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).