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

C8H16N4OS — CID 80607144

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)Cc1nnc(N)s1
InChIInChI=1S/C8H16N4OS/c1-6(2)12(3-4-13)5-7-10-11-8(9)14-7/h6,13H,3-5H2,1-2H3,(H2,9,11)
InChIKeyZGXJTHGQCJTPED-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.32
Rot. Bonds5

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-propan-2-ylamino]ethanol (PubChem CID 80607144) 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-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-propan-2-ylamino]ethanol
PubChem CID80607144
Molecular FormulaC8H16N4OS
Molecular Weight216.31 g/mol
Exact Mass216.10
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)Cc1nnc(N)s1
InChIInChI=1S/C8H16N4OS/c1-6(2)12(3-4-13)5-7-10-11-8(9)14-7/h6,13H,3-5H2,1-2H3,(H2,9,11)
InChIKeyZGXJTHGQCJTPED-UHFFFAOYSA-N
XLogP0.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
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-propan-2-ylamino]ethanol?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-propan-2-ylamino]ethanol (CID 80607144) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-propan-2-ylamino]ethanol is CC(C)N(CCO)Cc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-propan-2-ylamino]ethanol?
The InChIKey is ZGXJTHGQCJTPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4OS/c1-6(2)12(3-4-13)5-7-10-11-8(9)14-7/h6,13H,3-5H2,1-2H3,(H2,9,11).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-propan-2-ylamino]ethanol?
2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-propan-2-ylamino]ethanol has a molecular weight of 216.31 g/mol, XLogP of 0.32, 5 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-propan-2-ylamino]ethanol is sourced from PubChem (CID 80607144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).