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

C8H14N4OS — CID 80606316

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-cyclopropylamino]ethanol
SMILESNc1nnc(CN(CCO)C2CC2)s1
InChIInChI=1S/C8H14N4OS/c9-8-11-10-7(14-8)5-12(3-4-13)6-1-2-6/h6,13H,1-5H2,(H2,9,11)
InChIKeyQBFJTXMYDVXRMN-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.08
Rot. Bonds5

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-cyclopropylamino]ethanol (PubChem CID 80606316) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-cyclopropylamino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-cyclopropylamino]ethanol
PubChem CID80606316
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-cyclopropylamino]ethanol
SMILESNc1nnc(CN(CCO)C2CC2)s1
InChIInChI=1S/C8H14N4OS/c9-8-11-10-7(14-8)5-12(3-4-13)6-1-2-6/h6,13H,1-5H2,(H2,9,11)
InChIKeyQBFJTXMYDVXRMN-UHFFFAOYSA-N
XLogP0.08
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.08
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-cyclopropylamino]ethanol?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-cyclopropylamino]ethanol (CID 80606316) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-cyclopropylamino]ethanol.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-cyclopropylamino]ethanol?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-cyclopropylamino]ethanol is Nc1nnc(CN(CCO)C2CC2)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-cyclopropylamino]ethanol?
The InChIKey is QBFJTXMYDVXRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c9-8-11-10-7(14-8)5-12(3-4-13)6-1-2-6/h6,13H,1-5H2,(H2,9,11).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-cyclopropylamino]ethanol?
2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-cyclopropylamino]ethanol has a molecular weight of 214.29 g/mol, XLogP of 0.08, 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-cyclopropylamino]ethanol is sourced from PubChem (CID 80606316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).