N-[1-(4-tert-butylthiadiazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine

C16H24N4S — CID 105179988

IUPACN-[1-(4-tert-butylthiadiazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccnc1)c1snnc1C(C)(C)C
InChIInChI=1S/C16H24N4S/c1-5-8-18-13(10-12-7-6-9-17-11-12)14-15(16(2,3)4)19-20-21-14/h6-7,9,11,13,18H,5,8,10H2,1-4H3
InChIKeyXIJAFEKIKYNDTE-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.51
Rot. Bonds6

About N-[1-(4-tert-butylthiadiazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine

N-[1-(4-tert-butylthiadiazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine (PubChem CID 105179988) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[1-(4-tert-butylthiadiazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-tert-butylthiadiazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine
PubChem CID105179988
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC NameN-[1-(4-tert-butylthiadiazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccnc1)c1snnc1C(C)(C)C
InChIInChI=1S/C16H24N4S/c1-5-8-18-13(10-12-7-6-9-17-11-12)14-15(16(2,3)4)19-20-21-14/h6-7,9,11,13,18H,5,8,10H2,1-4H3
InChIKeyXIJAFEKIKYNDTE-UHFFFAOYSA-N
XLogP3.51
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-tert-butylthiadiazol-5-yl)-2-phenylethyl]propan-1-amine
CID 105084863
[1-(4-tert-butylthiadiazol-5-yl)-2-pyridin-3-ylethyl]hydrazine
CID 105333802
N-(2-pyridin-3-yl-1-pyridin-4-ylethyl)propan-1-amine
CID 104736220
1-(4-tert-butylthiadiazol-5-yl)-N-propylhexan-1-amine
CID 105129802
N-[1-(2,6-dimethyl-4-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 107504138
N-[1-(3,5-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 62791253
N-[1-(furan-3-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 63949988
N-[1-(6-methoxypyridazin-3-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 103374712
N-[1-(2,4-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 62802705
[1-(4-tert-butylthiadiazol-5-yl)-2-(4-ethylphenyl)ethyl]hydrazine
CID 105287990
N-[1-(3-fluoro-2-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 104736677
1,1,1-trifluoro-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 66468598

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylthiadiazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(4-tert-butylthiadiazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine (CID 105179988) is N-[1-(4-tert-butylthiadiazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-tert-butylthiadiazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-tert-butylthiadiazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine is CCCNC(Cc1cccnc1)c1snnc1C(C)(C)C.
What is the InChIKey of N-[1-(4-tert-butylthiadiazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine?
The InChIKey is XIJAFEKIKYNDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-5-8-18-13(10-12-7-6-9-17-11-12)14-15(16(2,3)4)19-20-21-14/h6-7,9,11,13,18H,5,8,10H2,1-4H3.
What are the key properties of N-[1-(4-tert-butylthiadiazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine?
N-[1-(4-tert-butylthiadiazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine has a molecular weight of 304.46 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylthiadiazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine is sourced from PubChem (CID 105179988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).