5-(1-methoxyethyl)-1,3,4-thiadiazol-2-amine

C5H9N3OS — CID 12799741

IUPAC5-(1-methoxyethyl)-1,3,4-thiadiazol-2-amine
SMILESCOC(C)c1nnc(N)s1
InChIInChI=1S/C5H9N3OS/c1-3(9-2)4-7-8-5(6)10-4/h3H,1-2H3,(H2,6,8)
InChIKeyVZQPBOQSEQUOBJ-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.83
Rot. Bonds2

About 5-(1-methoxyethyl)-1,3,4-thiadiazol-2-amine

5-(1-methoxyethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 12799741) has the molecular formula C5H9N3OS and a molecular weight of 159.21 g/mol. Its IUPAC name is 5-(1-methoxyethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(1-methoxyethyl)-1,3,4-thiadiazol-2-amine
PubChem CID12799741
Molecular FormulaC5H9N3OS
Molecular Weight159.21 g/mol
Exact Mass159.05
IUPAC Name5-(1-methoxyethyl)-1,3,4-thiadiazol-2-amine
SMILESCOC(C)c1nnc(N)s1
InChIInChI=1S/C5H9N3OS/c1-3(9-2)4-7-8-5(6)10-4/h3H,1-2H3,(H2,6,8)
InChIKeyVZQPBOQSEQUOBJ-UHFFFAOYSA-N
XLogP0.83
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxyethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(1-methoxyethyl)-1,3,4-thiadiazol-2-amine (CID 12799741) is 5-(1-methoxyethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(1-methoxyethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(1-methoxyethyl)-1,3,4-thiadiazol-2-amine is COC(C)c1nnc(N)s1.
What is the InChIKey of 5-(1-methoxyethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is VZQPBOQSEQUOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3OS/c1-3(9-2)4-7-8-5(6)10-4/h3H,1-2H3,(H2,6,8).
What are the key properties of 5-(1-methoxyethyl)-1,3,4-thiadiazol-2-amine?
5-(1-methoxyethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 159.21 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxyethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 12799741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).