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

C8H15N3OS2 — CID 64806406

IUPAC2-amino-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
SMILESCC(CC(C)(N)CO)Sc1nncs1
InChIInChI=1S/C8H15N3OS2/c1-6(3-8(2,9)4-12)14-7-11-10-5-13-7/h5-6,12H,3-4,9H2,1-2H3
InChIKeyDOQYUWQQTHZYSL-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.12
Rot. Bonds5

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

2-amino-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol (PubChem CID 64806406) has the molecular formula C8H15N3OS2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-amino-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
PubChem CID64806406
Molecular FormulaC8H15N3OS2
Molecular Weight233.36 g/mol
Exact Mass233.07
IUPAC Name2-amino-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
SMILESCC(CC(C)(N)CO)Sc1nncs1
InChIInChI=1S/C8H15N3OS2/c1-6(3-8(2,9)4-12)14-7-11-10-5-13-7/h5-6,12H,3-4,9H2,1-2H3
InChIKeyDOQYUWQQTHZYSL-UHFFFAOYSA-N
XLogP1.12
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol?
The IUPAC name of 2-amino-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol (CID 64806406) is 2-amino-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol?
The canonical SMILES for 2-amino-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol is CC(CC(C)(N)CO)Sc1nncs1.
What is the InChIKey of 2-amino-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol?
The InChIKey is DOQYUWQQTHZYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS2/c1-6(3-8(2,9)4-12)14-7-11-10-5-13-7/h5-6,12H,3-4,9H2,1-2H3.
What are the key properties of 2-amino-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol?
2-amino-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol is sourced from PubChem (CID 64806406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).