2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-propylamino]ethanol

C8H16N4OS — CID 80607331

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1nnc(N)s1
InChIInChI=1S/C8H16N4OS/c1-2-3-12(4-5-13)6-7-10-11-8(9)14-7/h13H,2-6H2,1H3,(H2,9,11)
InChIKeyARIVVCLAKKWYRN-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.32
Rot. Bonds6

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-propylamino]ethanol

2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-propylamino]ethanol (PubChem CID 80607331) has the molecular formula C8H16N4OS and a molecular weight of 216.31 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-propylamino]ethanol
PubChem CID80607331
Molecular FormulaC8H16N4OS
Molecular Weight216.31 g/mol
Exact Mass216.10
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1nnc(N)s1
InChIInChI=1S/C8H16N4OS/c1-2-3-12(4-5-13)6-7-10-11-8(9)14-7/h13H,2-6H2,1H3,(H2,9,11)
InChIKeyARIVVCLAKKWYRN-UHFFFAOYSA-N
XLogP0.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-propylamino]ethanol?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-propylamino]ethanol (CID 80607331) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-propylamino]ethanol.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-propylamino]ethanol?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-propylamino]ethanol is CCCN(CCO)Cc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-propylamino]ethanol?
The InChIKey is ARIVVCLAKKWYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4OS/c1-2-3-12(4-5-13)6-7-10-11-8(9)14-7/h13H,2-6H2,1H3,(H2,9,11).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-propylamino]ethanol?
2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-propylamino]ethanol has a molecular weight of 216.31 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-propylamino]ethanol is sourced from PubChem (CID 80607331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).