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

C8H16N4OS2 — CID 64805672

IUPAC3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(methylamino)propan-1-ol
SMILESCNC(CO)CSc1nnc(N(C)C)s1
InChIInChI=1S/C8H16N4OS2/c1-9-6(4-13)5-14-8-11-10-7(15-8)12(2)3/h6,9,13H,4-5H2,1-3H3
InChIKeyBTEVHJRKZXTQRJ-UHFFFAOYSA-N
MW248.38 g/mol
LogP0.28
Rot. Bonds6

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

3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(methylamino)propan-1-ol (PubChem CID 64805672) has the molecular formula C8H16N4OS2 and a molecular weight of 248.38 g/mol. Its IUPAC name is 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(methylamino)propan-1-ol
PubChem CID64805672
Molecular FormulaC8H16N4OS2
Molecular Weight248.38 g/mol
Exact Mass248.08
IUPAC Name3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(methylamino)propan-1-ol
SMILESCNC(CO)CSc1nnc(N(C)C)s1
InChIInChI=1S/C8H16N4OS2/c1-9-6(4-13)5-14-8-11-10-7(15-8)12(2)3/h6,9,13H,4-5H2,1-3H3
InChIKeyBTEVHJRKZXTQRJ-UHFFFAOYSA-N
XLogP0.28
TPSA61.28 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 ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(methylamino)propan-1-ol?
The IUPAC name of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(methylamino)propan-1-ol (CID 64805672) is 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(methylamino)propan-1-ol.
What is the SMILES notation for 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(methylamino)propan-1-ol?
The canonical SMILES for 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(methylamino)propan-1-ol is CNC(CO)CSc1nnc(N(C)C)s1.
What is the InChIKey of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(methylamino)propan-1-ol?
The InChIKey is BTEVHJRKZXTQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4OS2/c1-9-6(4-13)5-14-8-11-10-7(15-8)12(2)3/h6,9,13H,4-5H2,1-3H3.
What are the key properties of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(methylamino)propan-1-ol?
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(methylamino)propan-1-ol has a molecular weight of 248.38 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(methylamino)propan-1-ol is sourced from PubChem (CID 64805672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).