2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine

C12H15BrN4S — CID 105180886

IUPAC2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
SMILESCC(C)c1nnsc1C(N)Cc1ccc(Br)cn1
InChIInChI=1S/C12H15BrN4S/c1-7(2)11-12(18-17-16-11)10(14)5-9-4-3-8(13)6-15-9/h3-4,6-7,10H,5,14H2,1-2H3
InChIKeyCPSGZQKAQVFMMR-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.06
Rot. Bonds4

About 2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine

2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine (PubChem CID 105180886) has the molecular formula C12H15BrN4S and a molecular weight of 327.25 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
PubChem CID105180886
Molecular FormulaC12H15BrN4S
Molecular Weight327.25 g/mol
Exact Mass326.02
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
SMILESCC(C)c1nnsc1C(N)Cc1ccc(Br)cn1
InChIInChI=1S/C12H15BrN4S/c1-7(2)11-12(18-17-16-11)10(14)5-9-4-3-8(13)6-15-9/h3-4,6-7,10H,5,14H2,1-2H3
InChIKeyCPSGZQKAQVFMMR-UHFFFAOYSA-N
XLogP3.06
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromo-2-pyridinyl)-1-(4-methylthiadiazol-5-yl)ethanol
CID 105126130
2-(4-tert-butylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105136160
2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 104802559
1-(4-bromo-3,5-dimethylphenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 114330336
2-(5-bromo-2-pyridinyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 104803490
1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 104804034
[1-(5-bromo-2-pyridinyl)-3-methylbutan-2-yl]hydrazine
CID 105199530
2-(5-bromo-2-pyridinyl)-1-(5-methylfuran-3-yl)ethanamine
CID 105036214
2-(5-bromo-2-pyridinyl)-1-(3-fluoro-2-pyridinyl)ethanamine
CID 104803638
5-bromo-2-(3-chloro-2-methylpropyl)pyridine
CID 104813254
N-[2-(5-bromo-2-pyridinyl)-1-(4-propylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105180987
2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105169681

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine (CID 105180886) is 2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine is CC(C)c1nnsc1C(N)Cc1ccc(Br)cn1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The InChIKey is CPSGZQKAQVFMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4S/c1-7(2)11-12(18-17-16-11)10(14)5-9-4-3-8(13)6-15-9/h3-4,6-7,10H,5,14H2,1-2H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine has a molecular weight of 327.25 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105180886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).