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

C5H9N3OS — CID 4291741

IUPAC5-(ethoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCCOCc1nnc(N)s1
InChIInChI=1S/C5H9N3OS/c1-2-9-3-4-7-8-5(6)10-4/h2-3H2,1H3,(H2,6,8)
InChIKeyMPGVDSYZFPJWIQ-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.66
Rot. Bonds3

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

5-(ethoxymethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 4291741) has the molecular formula C5H9N3OS and a molecular weight of 159.21 g/mol. Its IUPAC name is 5-(ethoxymethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(ethoxymethyl)-1,3,4-thiadiazol-2-amine
PubChem CID4291741
Molecular FormulaC5H9N3OS
Molecular Weight159.21 g/mol
Exact Mass159.05
IUPAC Name5-(ethoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCCOCc1nnc(N)s1
InChIInChI=1S/C5H9N3OS/c1-2-9-3-4-7-8-5(6)10-4/h2-3H2,1H3,(H2,6,8)
InChIKeyMPGVDSYZFPJWIQ-UHFFFAOYSA-N
XLogP0.66
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(ethoxymethyl)-1,3,4-thiadiazol-2-amine (CID 4291741) is 5-(ethoxymethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(ethoxymethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(ethoxymethyl)-1,3,4-thiadiazol-2-amine is CCOCc1nnc(N)s1.
What is the InChIKey of 5-(ethoxymethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is MPGVDSYZFPJWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3OS/c1-2-9-3-4-7-8-5(6)10-4/h2-3H2,1H3,(H2,6,8).
What are the key properties of 5-(ethoxymethyl)-1,3,4-thiadiazol-2-amine?
5-(ethoxymethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 159.21 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 4291741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).