2-(1,2,4-thiadiazol-3-yl)propan-2-amine;hydrobromide

C5H10BrN3S — CID 122507844

IUPAC2-(1,2,4-thiadiazol-3-yl)propan-2-amine;hydrobromide
SMILESBr.CC(C)(N)c1ncsn1
InChIInChI=1S/C5H9N3S.BrH/c1-5(2,6)4-7-3-9-8-4;/h3H,6H2,1-2H3;1H
InChIKeyMVFSNXREDWZLMT-UHFFFAOYSA-N
MW224.13 g/mol
LogP1.31
Rot. Bonds1

About 2-(1,2,4-thiadiazol-3-yl)propan-2-amine;hydrobromide

2-(1,2,4-thiadiazol-3-yl)propan-2-amine;hydrobromide (PubChem CID 122507844) has the molecular formula C5H10BrN3S and a molecular weight of 224.13 g/mol. Its IUPAC name is 2-(1,2,4-thiadiazol-3-yl)propan-2-amine;hydrobromide.

Molecular Properties

Compound Name2-(1,2,4-thiadiazol-3-yl)propan-2-amine;hydrobromide
PubChem CID122507844
Molecular FormulaC5H10BrN3S
Molecular Weight224.13 g/mol
Exact Mass222.98
IUPAC Name2-(1,2,4-thiadiazol-3-yl)propan-2-amine;hydrobromide
SMILESBr.CC(C)(N)c1ncsn1
InChIInChI=1S/C5H9N3S.BrH/c1-5(2,6)4-7-3-9-8-4;/h3H,6H2,1-2H3;1H
InChIKeyMVFSNXREDWZLMT-UHFFFAOYSA-N
XLogP1.31
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylnonan-3-yl)-1,2,4-thiadiazole
CID 166645014
1,2,4-thiadiazol-3-amine;hydrochloride
CID 131843288
2-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-2-amine
CID 82467981
3-ethyl-1,2,4-thiadiazole;propane
CID 144511428
3-ethoxy-1,2,4-thiadiazole
CID 20511900
2-(4-methoxypyrimidin-2-yl)propan-2-amine
CID 126980299
2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 61325491
2-(2-methylpyrimidin-5-yl)propan-2-amine
CID 82417261
2-(2-bromo-1H-imidazol-5-yl)propan-2-amine
CID 115023235
CID 175795972
CID 175795972
2-(6-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-2-amine
CID 84778565
1-amino-1-(1,3,5-triazin-2-yl)ethanol
CID 89466824

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-thiadiazol-3-yl)propan-2-amine;hydrobromide?
The IUPAC name of 2-(1,2,4-thiadiazol-3-yl)propan-2-amine;hydrobromide (CID 122507844) is 2-(1,2,4-thiadiazol-3-yl)propan-2-amine;hydrobromide.
What is the SMILES notation for 2-(1,2,4-thiadiazol-3-yl)propan-2-amine;hydrobromide?
The canonical SMILES for 2-(1,2,4-thiadiazol-3-yl)propan-2-amine;hydrobromide is Br.CC(C)(N)c1ncsn1.
What is the InChIKey of 2-(1,2,4-thiadiazol-3-yl)propan-2-amine;hydrobromide?
The InChIKey is MVFSNXREDWZLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S.BrH/c1-5(2,6)4-7-3-9-8-4;/h3H,6H2,1-2H3;1H.
What are the key properties of 2-(1,2,4-thiadiazol-3-yl)propan-2-amine;hydrobromide?
2-(1,2,4-thiadiazol-3-yl)propan-2-amine;hydrobromide has a molecular weight of 224.13 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-thiadiazol-3-yl)propan-2-amine;hydrobromide is sourced from PubChem (CID 122507844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).