2-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-1-ol

C10H20N4OS2 — CID 64806498

IUPAC2-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-1-ol
SMILESCC(CC(C)(N)CO)Sc1nnc(N(C)C)s1
InChIInChI=1S/C10H20N4OS2/c1-7(5-10(2,11)6-15)16-9-13-12-8(17-9)14(3)4/h7,15H,5-6,11H2,1-4H3
InChIKeyIOJSBZFGTKCNPF-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.18
Rot. Bonds6

About 2-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-1-ol

2-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-1-ol (PubChem CID 64806498) has the molecular formula C10H20N4OS2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-1-ol
PubChem CID64806498
Molecular FormulaC10H20N4OS2
Molecular Weight276.43 g/mol
Exact Mass276.11
IUPAC Name2-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-1-ol
SMILESCC(CC(C)(N)CO)Sc1nnc(N(C)C)s1
InChIInChI=1S/C10H20N4OS2/c1-7(5-10(2,11)6-15)16-9-13-12-8(17-9)14(3)4/h7,15H,5-6,11H2,1-4H3
InChIKeyIOJSBZFGTKCNPF-UHFFFAOYSA-N
XLogP1.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-1-ol?
The IUPAC name of 2-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-1-ol (CID 64806498) is 2-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-1-ol.
What is the SMILES notation for 2-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-1-ol?
The canonical SMILES for 2-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-1-ol is CC(CC(C)(N)CO)Sc1nnc(N(C)C)s1.
What is the InChIKey of 2-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-1-ol?
The InChIKey is IOJSBZFGTKCNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4OS2/c1-7(5-10(2,11)6-15)16-9-13-12-8(17-9)14(3)4/h7,15H,5-6,11H2,1-4H3.
What are the key properties of 2-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-1-ol?
2-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-1-ol has a molecular weight of 276.43 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-1-ol is sourced from PubChem (CID 64806498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).