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

C8H16N4OS2 — CID 64805671

IUPAC2-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-ol
SMILESCN(C)c1nnc(SCCC(N)CO)s1
InChIInChI=1S/C8H16N4OS2/c1-12(2)7-10-11-8(15-7)14-4-3-6(9)5-13/h6,13H,3-5,9H2,1-2H3
InChIKeyHFBXWDWJPLOKBI-UHFFFAOYSA-N
MW248.38 g/mol
LogP0.41
Rot. Bonds6

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

2-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-ol (PubChem CID 64805671) has the molecular formula C8H16N4OS2 and a molecular weight of 248.38 g/mol. Its IUPAC name is 2-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-ol.

Molecular Properties

Compound Name2-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-ol
PubChem CID64805671
Molecular FormulaC8H16N4OS2
Molecular Weight248.38 g/mol
Exact Mass248.08
IUPAC Name2-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-ol
SMILESCN(C)c1nnc(SCCC(N)CO)s1
InChIInChI=1S/C8H16N4OS2/c1-12(2)7-10-11-8(15-7)14-4-3-6(9)5-13/h6,13H,3-5,9H2,1-2H3
InChIKeyHFBXWDWJPLOKBI-UHFFFAOYSA-N
XLogP0.41
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.38
LogP ≤ 50.41
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]butan-1-ol?
The IUPAC name of 2-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-ol (CID 64805671) is 2-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-ol.
What is the SMILES notation for 2-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-ol?
The canonical SMILES for 2-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-ol is CN(C)c1nnc(SCCC(N)CO)s1.
What is the InChIKey of 2-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-ol?
The InChIKey is HFBXWDWJPLOKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4OS2/c1-12(2)7-10-11-8(15-7)14-4-3-6(9)5-13/h6,13H,3-5,9H2,1-2H3.
What are the key properties of 2-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-ol?
2-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-ol has a molecular weight of 248.38 g/mol, XLogP of 0.41, 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]butan-1-ol is sourced from PubChem (CID 64805671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).