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

C5H9N3S — CID 65280170

IUPAC1-(1,2,4-thiadiazol-5-yl)propan-2-amine
SMILESCC(N)Cc1ncns1
InChIInChI=1S/C5H9N3S/c1-4(6)2-5-7-3-8-9-5/h3-4H,2,6H2,1H3
InChIKeyCYWDHXCSAPNRFE-UHFFFAOYSA-N
MW143.22 g/mol
LogP0.43
Rot. Bonds2

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

1-(1,2,4-thiadiazol-5-yl)propan-2-amine (PubChem CID 65280170) has the molecular formula C5H9N3S and a molecular weight of 143.22 g/mol. Its IUPAC name is 1-(1,2,4-thiadiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1,2,4-thiadiazol-5-yl)propan-2-amine
PubChem CID65280170
Molecular FormulaC5H9N3S
Molecular Weight143.22 g/mol
Exact Mass143.05
IUPAC Name1-(1,2,4-thiadiazol-5-yl)propan-2-amine
SMILESCC(N)Cc1ncns1
InChIInChI=1S/C5H9N3S/c1-4(6)2-5-7-3-8-9-5/h3-4H,2,6H2,1H3
InChIKeyCYWDHXCSAPNRFE-UHFFFAOYSA-N
XLogP0.43
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.22
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,1-Trifluoro-3-(1,2,4-thiadiazol-5-yl)propan-2-amine
CID 82399164
2-Fluoro-2-(1,2,4-thiadiazol-5-yl)propan-1-amine
CID 84021211
5-Pyrrolidin-2-yl-1,2,4-thiadiazole
CID 19934504
1-(1,2,4-Thiadiazol-5-yl)propan-2-imine
CID 54474176
5-Propyl-1,2,4-thiadiazole
CID 57105303
5-[(2S)-pyrrolidin-2-yl]-1,2,4-thiadiazole
CID 68841070
N-(1,2,4-thiadiazol-5-ylmethyl)propan-2-amine
CID 82415856
N-methyl-4-(1,2,4-thiadiazol-5-yl)butan-2-imine
CID 123621328
5-Butyl-1,2,4-thiadiazole
CID 123855676
Ethane;5-ethyl-1,2,4-thiadiazole
CID 143386452
1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N-methylpropan-2-amine
CID 175850298
3-N-methyl-3-N-(1,2,4-thiadiazol-5-yl)butane-1,3-diamine
CID 65270086

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-thiadiazol-5-yl)propan-2-amine?
The IUPAC name of 1-(1,2,4-thiadiazol-5-yl)propan-2-amine (CID 65280170) is 1-(1,2,4-thiadiazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(1,2,4-thiadiazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(1,2,4-thiadiazol-5-yl)propan-2-amine is CC(N)Cc1ncns1.
What is the InChIKey of 1-(1,2,4-thiadiazol-5-yl)propan-2-amine?
The InChIKey is CYWDHXCSAPNRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c1-4(6)2-5-7-3-8-9-5/h3-4H,2,6H2,1H3.
What are the key properties of 1-(1,2,4-thiadiazol-5-yl)propan-2-amine?
1-(1,2,4-thiadiazol-5-yl)propan-2-amine has a molecular weight of 143.22 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-thiadiazol-5-yl)propan-2-amine is sourced from PubChem (CID 65280170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).