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

C7H14N4O2S — CID 79021703

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol
SMILESNc1nnc(CN(CCO)CCO)s1
InChIInChI=1S/C7H14N4O2S/c8-7-10-9-6(14-7)5-11(1-3-12)2-4-13/h12-13H,1-5H2,(H2,8,10)
InChIKeyAFDSPLLYCQIOML-UHFFFAOYSA-N
MW218.28 g/mol
LogP-1.09
Rot. Bonds6

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 79021703) has the molecular formula C7H14N4O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol
PubChem CID79021703
Molecular FormulaC7H14N4O2S
Molecular Weight218.28 g/mol
Exact Mass218.08
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol
SMILESNc1nnc(CN(CCO)CCO)s1
InChIInChI=1S/C7H14N4O2S/c8-7-10-9-6(14-7)5-11(1-3-12)2-4-13/h12-13H,1-5H2,(H2,8,10)
InChIKeyAFDSPLLYCQIOML-UHFFFAOYSA-N
XLogP-1.09
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol (CID 79021703) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol is Nc1nnc(CN(CCO)CCO)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is AFDSPLLYCQIOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2S/c8-7-10-9-6(14-7)5-11(1-3-12)2-4-13/h12-13H,1-5H2,(H2,8,10).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol?
2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 218.28 g/mol, XLogP of -1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 79021703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).