2-amino-1-(thiadiazol-4-yl)propan-1-ol

C5H9N3OS — CID 130592484

IUPAC2-amino-1-(thiadiazol-4-yl)propan-1-ol
SMILESCC(N)C(O)c1csnn1
InChIInChI=1S/C5H9N3OS/c1-3(6)5(9)4-2-10-8-7-4/h2-3,5,9H,6H2,1H3
InChIKeyGBTNFKZYQPOVCO-UHFFFAOYSA-N
MW159.21 g/mol
LogP-0.08
Rot. Bonds2

About 2-amino-1-(thiadiazol-4-yl)propan-1-ol

2-amino-1-(thiadiazol-4-yl)propan-1-ol (PubChem CID 130592484) has the molecular formula C5H9N3OS and a molecular weight of 159.21 g/mol. Its IUPAC name is 2-amino-1-(thiadiazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(thiadiazol-4-yl)propan-1-ol
PubChem CID130592484
Molecular FormulaC5H9N3OS
Molecular Weight159.21 g/mol
Exact Mass159.05
IUPAC Name2-amino-1-(thiadiazol-4-yl)propan-1-ol
SMILESCC(N)C(O)c1csnn1
InChIInChI=1S/C5H9N3OS/c1-3(6)5(9)4-2-10-8-7-4/h2-3,5,9H,6H2,1H3
InChIKeyGBTNFKZYQPOVCO-UHFFFAOYSA-N
XLogP-0.08
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(thiadiazol-4-yl)propan-1-ol?
The IUPAC name of 2-amino-1-(thiadiazol-4-yl)propan-1-ol (CID 130592484) is 2-amino-1-(thiadiazol-4-yl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(thiadiazol-4-yl)propan-1-ol?
The canonical SMILES for 2-amino-1-(thiadiazol-4-yl)propan-1-ol is CC(N)C(O)c1csnn1.
What is the InChIKey of 2-amino-1-(thiadiazol-4-yl)propan-1-ol?
The InChIKey is GBTNFKZYQPOVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3OS/c1-3(6)5(9)4-2-10-8-7-4/h2-3,5,9H,6H2,1H3.
What are the key properties of 2-amino-1-(thiadiazol-4-yl)propan-1-ol?
2-amino-1-(thiadiazol-4-yl)propan-1-ol has a molecular weight of 159.21 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(thiadiazol-4-yl)propan-1-ol is sourced from PubChem (CID 130592484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).