1-(4-tert-butylthiadiazol-5-yl)-N-propylhex-5-en-1-amine

C15H27N3S — CID 105153160

IUPAC1-(4-tert-butylthiadiazol-5-yl)-N-propylhex-5-en-1-amine
SMILESC=CCCCC(NCCC)c1snnc1C(C)(C)C
InChIInChI=1S/C15H27N3S/c1-6-8-9-10-12(16-11-7-2)13-14(15(3,4)5)17-18-19-13/h6,12,16H,1,7-11H2,2-5H3
InChIKeyYAYCRJKIWSEKFU-UHFFFAOYSA-N
MW281.47 g/mol
LogP4.23
Rot. Bonds8

About 1-(4-tert-butylthiadiazol-5-yl)-N-propylhex-5-en-1-amine

1-(4-tert-butylthiadiazol-5-yl)-N-propylhex-5-en-1-amine (PubChem CID 105153160) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-N-propylhex-5-en-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-N-propylhex-5-en-1-amine
PubChem CID105153160
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-N-propylhex-5-en-1-amine
SMILESC=CCCCC(NCCC)c1snnc1C(C)(C)C
InChIInChI=1S/C15H27N3S/c1-6-8-9-10-12(16-11-7-2)13-14(15(3,4)5)17-18-19-13/h6,12,16H,1,7-11H2,2-5H3
InChIKeyYAYCRJKIWSEKFU-UHFFFAOYSA-N
XLogP4.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-tert-butylthiadiazol-5-yl)-N-propylhex-5-en-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-propylhexan-1-amine
CID 105129802
1-(4-tert-butylthiadiazol-5-yl)-N-methylpentan-1-amine
CID 105125643
N-[1-(4-tert-butylthiadiazol-5-yl)-2-cyclohexylethyl]propan-1-amine
CID 105135764
1-(4-tert-butylphenyl)-N-propylhex-5-en-1-amine
CID 104986877
N-ethyl-1-(4-ethylthiadiazol-5-yl)hex-5-en-1-amine
CID 105153232
1-(4-tert-butylthiadiazol-5-yl)pent-4-en-1-amine
CID 105153331
N-[1-(4-tert-butylthiadiazol-5-yl)-2-phenylethyl]propan-1-amine
CID 105084863
1-(4-tert-butylthiadiazol-5-yl)heptylhydrazine
CID 105294114
1-(4-tert-butylthiadiazol-5-yl)but-3-enylhydrazine
CID 105289711
1-(4-tert-butylthiadiazol-5-yl)-2-methyl-N-propylbutan-1-amine
CID 105170540
N-[1-(4-tert-butylthiadiazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 105179988
1-(4-ethylthiadiazol-5-yl)-N-propyldecan-1-amine
CID 105124534

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-N-propylhex-5-en-1-amine?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-N-propylhex-5-en-1-amine (CID 105153160) is 1-(4-tert-butylthiadiazol-5-yl)-N-propylhex-5-en-1-amine.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-N-propylhex-5-en-1-amine?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-N-propylhex-5-en-1-amine is C=CCCCC(NCCC)c1snnc1C(C)(C)C.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-N-propylhex-5-en-1-amine?
The InChIKey is YAYCRJKIWSEKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-6-8-9-10-12(16-11-7-2)13-14(15(3,4)5)17-18-19-13/h6,12,16H,1,7-11H2,2-5H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-N-propylhex-5-en-1-amine?
1-(4-tert-butylthiadiazol-5-yl)-N-propylhex-5-en-1-amine has a molecular weight of 281.47 g/mol, XLogP of 4.23, 8 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)-N-propylhex-5-en-1-amine is sourced from PubChem (CID 105153160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).