1-(5-bromo-1,2,4-thiadiazol-3-yl)propan-2-amine

C5H8BrN3S — CID 83890411

IUPAC1-(5-bromo-1,2,4-thiadiazol-3-yl)propan-2-amine
SMILESCC(N)Cc1nsc(Br)n1
InChIInChI=1S/C5H8BrN3S/c1-3(7)2-4-8-5(6)10-9-4/h3H,2,7H2,1H3
InChIKeyYAPRKLOXQXOJPT-UHFFFAOYSA-N
MW222.11 g/mol
LogP1.19
Rot. Bonds2

About 1-(5-bromo-1,2,4-thiadiazol-3-yl)propan-2-amine

1-(5-bromo-1,2,4-thiadiazol-3-yl)propan-2-amine (PubChem CID 83890411) has the molecular formula C5H8BrN3S and a molecular weight of 222.11 g/mol. Its IUPAC name is 1-(5-bromo-1,2,4-thiadiazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-1,2,4-thiadiazol-3-yl)propan-2-amine
PubChem CID83890411
Molecular FormulaC5H8BrN3S
Molecular Weight222.11 g/mol
Exact Mass220.96
IUPAC Name1-(5-bromo-1,2,4-thiadiazol-3-yl)propan-2-amine
SMILESCC(N)Cc1nsc(Br)n1
InChIInChI=1S/C5H8BrN3S/c1-3(7)2-4-8-5(6)10-9-4/h3H,2,7H2,1H3
InChIKeyYAPRKLOXQXOJPT-UHFFFAOYSA-N
XLogP1.19
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.11
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-2-amine
CID 65280169
2-(5-bromo-1,2,4-thiadiazol-3-yl)ethanamine
CID 83883572
1-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]propan-2-amine
CID 116897913
(2R)-1-pyrimidin-2-ylpropan-2-amine
CID 95028657
2-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]ethanamine
CID 82406037
1-(1,3,5-triazin-2-yl)propan-2-amine
CID 70362095
1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3,3-dimethylbutan-2-amine
CID 65280352
1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 107965393
1-(4,6-dimethoxy-5-methylpyrimidin-2-yl)propan-2-amine
CID 105465048
1-(3-ethyl-1,2,4-thiadiazol-5-yl)butan-2-amine
CID 65280536
1-[5-(5-bromofuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62651224
1-(4-propan-2-ylpyrimidin-2-yl)propan-2-amine
CID 63318928

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1,2,4-thiadiazol-3-yl)propan-2-amine?
The IUPAC name of 1-(5-bromo-1,2,4-thiadiazol-3-yl)propan-2-amine (CID 83890411) is 1-(5-bromo-1,2,4-thiadiazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(5-bromo-1,2,4-thiadiazol-3-yl)propan-2-amine?
The canonical SMILES for 1-(5-bromo-1,2,4-thiadiazol-3-yl)propan-2-amine is CC(N)Cc1nsc(Br)n1.
What is the InChIKey of 1-(5-bromo-1,2,4-thiadiazol-3-yl)propan-2-amine?
The InChIKey is YAPRKLOXQXOJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrN3S/c1-3(7)2-4-8-5(6)10-9-4/h3H,2,7H2,1H3.
What are the key properties of 1-(5-bromo-1,2,4-thiadiazol-3-yl)propan-2-amine?
1-(5-bromo-1,2,4-thiadiazol-3-yl)propan-2-amine has a molecular weight of 222.11 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1,2,4-thiadiazol-3-yl)propan-2-amine is sourced from PubChem (CID 83890411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).