3-amino-2-(1,2,4-thiadiazol-5-yl)propan-1-ol

C5H9N3OS — CID 65277509

IUPAC3-amino-2-(1,2,4-thiadiazol-5-yl)propan-1-ol
SMILESNCC(CO)c1ncns1
InChIInChI=1S/C5H9N3OS/c6-1-4(2-9)5-7-3-8-10-5/h3-4,9H,1-2,6H2
InChIKeyRRLPSVRNZYCQEO-UHFFFAOYSA-N
MW159.21 g/mol
LogP-0.43
Rot. Bonds3

About 3-amino-2-(1,2,4-thiadiazol-5-yl)propan-1-ol

3-amino-2-(1,2,4-thiadiazol-5-yl)propan-1-ol (PubChem CID 65277509) has the molecular formula C5H9N3OS and a molecular weight of 159.21 g/mol. Its IUPAC name is 3-amino-2-(1,2,4-thiadiazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(1,2,4-thiadiazol-5-yl)propan-1-ol
PubChem CID65277509
Molecular FormulaC5H9N3OS
Molecular Weight159.21 g/mol
Exact Mass159.05
IUPAC Name3-amino-2-(1,2,4-thiadiazol-5-yl)propan-1-ol
SMILESNCC(CO)c1ncns1
InChIInChI=1S/C5H9N3OS/c6-1-4(2-9)5-7-3-8-10-5/h3-4,9H,1-2,6H2
InChIKeyRRLPSVRNZYCQEO-UHFFFAOYSA-N
XLogP-0.43
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(1,2,4-thiadiazol-5-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(1,2,4-thiadiazol-5-yl)propan-1-ol (CID 65277509) is 3-amino-2-(1,2,4-thiadiazol-5-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(1,2,4-thiadiazol-5-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(1,2,4-thiadiazol-5-yl)propan-1-ol is NCC(CO)c1ncns1.
What is the InChIKey of 3-amino-2-(1,2,4-thiadiazol-5-yl)propan-1-ol?
The InChIKey is RRLPSVRNZYCQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3OS/c6-1-4(2-9)5-7-3-8-10-5/h3-4,9H,1-2,6H2.
What are the key properties of 3-amino-2-(1,2,4-thiadiazol-5-yl)propan-1-ol?
3-amino-2-(1,2,4-thiadiazol-5-yl)propan-1-ol has a molecular weight of 159.21 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(1,2,4-thiadiazol-5-yl)propan-1-ol is sourced from PubChem (CID 65277509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).