1-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-2-ol

C8H15N3OS2 — CID 64812783

IUPAC1-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-2-ol
SMILESCC(O)(CN)CCCSc1nncs1
InChIInChI=1S/C8H15N3OS2/c1-8(12,5-9)3-2-4-13-7-11-10-6-14-7/h6,12H,2-5,9H2,1H3
InChIKeyGHGQEMUKZFIOMI-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.12
Rot. Bonds6

About 1-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-2-ol

1-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-2-ol (PubChem CID 64812783) has the molecular formula C8H15N3OS2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-2-ol
PubChem CID64812783
Molecular FormulaC8H15N3OS2
Molecular Weight233.36 g/mol
Exact Mass233.07
IUPAC Name1-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-2-ol
SMILESCC(O)(CN)CCCSc1nncs1
InChIInChI=1S/C8H15N3OS2/c1-8(12,5-9)3-2-4-13-7-11-10-6-14-7/h6,12H,2-5,9H2,1H3
InChIKeyGHGQEMUKZFIOMI-UHFFFAOYSA-N
XLogP1.12
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-2-ol?
The IUPAC name of 1-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-2-ol (CID 64812783) is 1-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-2-ol?
The canonical SMILES for 1-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-2-ol is CC(O)(CN)CCCSc1nncs1.
What is the InChIKey of 1-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-2-ol?
The InChIKey is GHGQEMUKZFIOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS2/c1-8(12,5-9)3-2-4-13-7-11-10-6-14-7/h6,12H,2-5,9H2,1H3.
What are the key properties of 1-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-2-ol?
1-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-2-ol has a molecular weight of 233.36 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-2-ol is sourced from PubChem (CID 64812783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).