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

C11H22N4OS2 — CID 114369819

IUPAC3-amino-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-4,4-dimethylpentan-1-ol
SMILESCN(C)c1nnc(SC(CO)C(N)C(C)(C)C)s1
InChIInChI=1S/C11H22N4OS2/c1-11(2,3)8(12)7(6-16)17-10-14-13-9(18-10)15(4)5/h7-8,16H,6,12H2,1-5H3
InChIKeyZHYGBRGMLYBNGE-UHFFFAOYSA-N
MW290.46 g/mol
LogP1.43
Rot. Bonds5

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

3-amino-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-4,4-dimethylpentan-1-ol (PubChem CID 114369819) has the molecular formula C11H22N4OS2 and a molecular weight of 290.46 g/mol. Its IUPAC name is 3-amino-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-amino-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-4,4-dimethylpentan-1-ol
PubChem CID114369819
Molecular FormulaC11H22N4OS2
Molecular Weight290.46 g/mol
Exact Mass290.12
IUPAC Name3-amino-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-4,4-dimethylpentan-1-ol
SMILESCN(C)c1nnc(SC(CO)C(N)C(C)(C)C)s1
InChIInChI=1S/C11H22N4OS2/c1-11(2,3)8(12)7(6-16)17-10-14-13-9(18-10)15(4)5/h7-8,16H,6,12H2,1-5H3
InChIKeyZHYGBRGMLYBNGE-UHFFFAOYSA-N
XLogP1.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-amino-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-4,4-dimethylpentan-1-ol (CID 114369819) is 3-amino-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-amino-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-amino-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-4,4-dimethylpentan-1-ol is CN(C)c1nnc(SC(CO)C(N)C(C)(C)C)s1.
What is the InChIKey of 3-amino-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-4,4-dimethylpentan-1-ol?
The InChIKey is ZHYGBRGMLYBNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4OS2/c1-11(2,3)8(12)7(6-16)17-10-14-13-9(18-10)15(4)5/h7-8,16H,6,12H2,1-5H3.
What are the key properties of 3-amino-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-4,4-dimethylpentan-1-ol?
3-amino-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-4,4-dimethylpentan-1-ol has a molecular weight of 290.46 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 114369819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).