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

C6H11N3OS2 — CID 64812993

IUPAC1-amino-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-ol
SMILESNCC(O)CCSc1nncs1
InChIInChI=1S/C6H11N3OS2/c7-3-5(10)1-2-11-6-9-8-4-12-6/h4-5,10H,1-3,7H2
InChIKeyGHFHZUCANNCZBZ-UHFFFAOYSA-N
MW205.31 g/mol
LogP0.34
Rot. Bonds5

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

1-amino-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-ol (PubChem CID 64812993) has the molecular formula C6H11N3OS2 and a molecular weight of 205.31 g/mol. Its IUPAC name is 1-amino-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-ol.

Molecular Properties

Compound Name1-amino-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-ol
PubChem CID64812993
Molecular FormulaC6H11N3OS2
Molecular Weight205.31 g/mol
Exact Mass205.03
IUPAC Name1-amino-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-ol
SMILESNCC(O)CCSc1nncs1
InChIInChI=1S/C6H11N3OS2/c7-3-5(10)1-2-11-6-9-8-4-12-6/h4-5,10H,1-3,7H2
InChIKeyGHFHZUCANNCZBZ-UHFFFAOYSA-N
XLogP0.34
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-ol?
The IUPAC name of 1-amino-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-ol (CID 64812993) is 1-amino-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-ol.
What is the SMILES notation for 1-amino-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-ol?
The canonical SMILES for 1-amino-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-ol is NCC(O)CCSc1nncs1.
What is the InChIKey of 1-amino-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-ol?
The InChIKey is GHFHZUCANNCZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS2/c7-3-5(10)1-2-11-6-9-8-4-12-6/h4-5,10H,1-3,7H2.
What are the key properties of 1-amino-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-ol?
1-amino-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-ol has a molecular weight of 205.31 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-ol is sourced from PubChem (CID 64812993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).