1-(4-tert-butylthiadiazol-5-yl)-N-methylpentan-1-amine

C12H23N3S — CID 105125643

IUPAC1-(4-tert-butylthiadiazol-5-yl)-N-methylpentan-1-amine
SMILESCCCCC(NC)c1snnc1C(C)(C)C
InChIInChI=1S/C12H23N3S/c1-6-7-8-9(13-5)10-11(12(2,3)4)14-15-16-10/h9,13H,6-8H2,1-5H3
InChIKeyQKDOLBZPLRBWGC-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.29
Rot. Bonds5

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

1-(4-tert-butylthiadiazol-5-yl)-N-methylpentan-1-amine (PubChem CID 105125643) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-N-methylpentan-1-amine
PubChem CID105125643
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-N-methylpentan-1-amine
SMILESCCCCC(NC)c1snnc1C(C)(C)C
InChIInChI=1S/C12H23N3S/c1-6-7-8-9(13-5)10-11(12(2,3)4)14-15-16-10/h9,13H,6-8H2,1-5H3
InChIKeyQKDOLBZPLRBWGC-UHFFFAOYSA-N
XLogP3.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylthiadiazol-5-yl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 105113420
1-(4-tert-butylthiadiazol-5-yl)heptylhydrazine
CID 105294114
1-(4-tert-butylthiadiazol-5-yl)-N-propylhexan-1-amine
CID 105129802
1-(4-tert-butylthiadiazol-5-yl)pentan-1-amine
CID 105125244
1-(4-tert-butylthiadiazol-5-yl)heptan-1-ol
CID 105085352
1-(4-tert-butylthiadiazol-5-yl)nonan-1-ol
CID 105085797
1-(4-tert-butylthiadiazol-5-yl)-N-propylhex-5-en-1-amine
CID 105153160
N-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-amine
CID 105129659
1-(4-tert-butylthiadiazol-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030592
N-methyl-1-(4-propylthiadiazol-5-yl)nonan-1-amine
CID 105127772
[1-(4-tert-butylthiadiazol-5-yl)-4-methylsulfonylbutyl]hydrazine
CID 105291025
[1-(4-tert-butylthiadiazol-5-yl)-4-methylpentyl]hydrazine
CID 105294316

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-N-methylpentan-1-amine?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-N-methylpentan-1-amine (CID 105125643) is 1-(4-tert-butylthiadiazol-5-yl)-N-methylpentan-1-amine.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-N-methylpentan-1-amine?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-N-methylpentan-1-amine is CCCCC(NC)c1snnc1C(C)(C)C.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-N-methylpentan-1-amine?
The InChIKey is QKDOLBZPLRBWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-6-7-8-9(13-5)10-11(12(2,3)4)14-15-16-10/h9,13H,6-8H2,1-5H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-N-methylpentan-1-amine?
1-(4-tert-butylthiadiazol-5-yl)-N-methylpentan-1-amine has a molecular weight of 241.40 g/mol, XLogP of 3.29, 5 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-methylpentan-1-amine is sourced from PubChem (CID 105125643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).