4-(propan-2-yloxymethyl)thiadiazol-5-amine

C6H11N3OS — CID 62193388

IUPAC4-(propan-2-yloxymethyl)thiadiazol-5-amine
SMILESCC(C)OCc1nnsc1N
InChIInChI=1S/C6H11N3OS/c1-4(2)10-3-5-6(7)11-9-8-5/h4H,3,7H2,1-2H3
InChIKeyZLEHMSOKNYICKC-UHFFFAOYSA-N
MW173.24 g/mol
LogP1.05
Rot. Bonds3

About 4-(propan-2-yloxymethyl)thiadiazol-5-amine

4-(propan-2-yloxymethyl)thiadiazol-5-amine (PubChem CID 62193388) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 4-(propan-2-yloxymethyl)thiadiazol-5-amine.

Molecular Properties

Compound Name4-(propan-2-yloxymethyl)thiadiazol-5-amine
PubChem CID62193388
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name4-(propan-2-yloxymethyl)thiadiazol-5-amine
SMILESCC(C)OCc1nnsc1N
InChIInChI=1S/C6H11N3OS/c1-4(2)10-3-5-6(7)11-9-8-5/h4H,3,7H2,1-2H3
InChIKeyZLEHMSOKNYICKC-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

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Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-yloxymethyl)thiadiazol-5-amine?
The IUPAC name of 4-(propan-2-yloxymethyl)thiadiazol-5-amine (CID 62193388) is 4-(propan-2-yloxymethyl)thiadiazol-5-amine.
What is the SMILES notation for 4-(propan-2-yloxymethyl)thiadiazol-5-amine?
The canonical SMILES for 4-(propan-2-yloxymethyl)thiadiazol-5-amine is CC(C)OCc1nnsc1N.
What is the InChIKey of 4-(propan-2-yloxymethyl)thiadiazol-5-amine?
The InChIKey is ZLEHMSOKNYICKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-4(2)10-3-5-6(7)11-9-8-5/h4H,3,7H2,1-2H3.
What are the key properties of 4-(propan-2-yloxymethyl)thiadiazol-5-amine?
4-(propan-2-yloxymethyl)thiadiazol-5-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 4-(propan-2-yloxymethyl)thiadiazol-5-amine is sourced from PubChem (CID 62193388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).