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

C5H9N3OS2 — CID 43188140

IUPAC1-amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
SMILESNCC(O)CSc1nncs1
InChIInChI=1S/C5H9N3OS2/c6-1-4(9)2-10-5-8-7-3-11-5/h3-4,9H,1-2,6H2
InChIKeyYQHXUMSTJBMOFL-UHFFFAOYSA-N
MW191.28 g/mol
LogP-0.05
Rot. Bonds4

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

1-amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol (PubChem CID 43188140) has the molecular formula C5H9N3OS2 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
PubChem CID43188140
Molecular FormulaC5H9N3OS2
Molecular Weight191.28 g/mol
Exact Mass191.02
IUPAC Name1-amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
SMILESNCC(O)CSc1nncs1
InChIInChI=1S/C5H9N3OS2/c6-1-4(9)2-10-5-8-7-3-11-5/h3-4,9H,1-2,6H2
InChIKeyYQHXUMSTJBMOFL-UHFFFAOYSA-N
XLogP-0.05
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol?
The IUPAC name of 1-amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol (CID 43188140) is 1-amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol.
What is the SMILES notation for 1-amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol?
The canonical SMILES for 1-amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol is NCC(O)CSc1nncs1.
What is the InChIKey of 1-amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol?
The InChIKey is YQHXUMSTJBMOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3OS2/c6-1-4(9)2-10-5-8-7-3-11-5/h3-4,9H,1-2,6H2.
What are the key properties of 1-amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol?
1-amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol has a molecular weight of 191.28 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol is sourced from PubChem (CID 43188140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).