5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine

C6H11N3OS — CID 80607952

IUPAC5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)OCc1nnc(N)s1
InChIInChI=1S/C6H11N3OS/c1-4(2)10-3-5-8-9-6(7)11-5/h4H,3H2,1-2H3,(H2,7,9)
InChIKeyJJXURPXBQMWZST-UHFFFAOYSA-N
MW173.24 g/mol
LogP1.05
Rot. Bonds3

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

5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 80607952) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine
PubChem CID80607952
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)OCc1nnc(N)s1
InChIInChI=1S/C6H11N3OS/c1-4(2)10-3-5-8-9-6(7)11-5/h4H,3H2,1-2H3,(H2,7,9)
InChIKeyJJXURPXBQMWZST-UHFFFAOYSA-N
XLogP1.05
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine (CID 80607952) is 5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine is CC(C)OCc1nnc(N)s1.
What is the InChIKey of 5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is JJXURPXBQMWZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-4(2)10-3-5-8-9-6(7)11-5/h4H,3H2,1-2H3,(H2,7,9).
What are the key properties of 5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine?
5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 173.24 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80607952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).