4-(propan-2-yloxymethyl)thiadiazole

C6H10N2OS — CID 171518023

IUPAC4-(propan-2-yloxymethyl)thiadiazole
SMILESCC(C)OCc1csnn1
InChIInChI=1S/C6H10N2OS/c1-5(2)9-3-6-4-10-8-7-6/h4-5H,3H2,1-2H3
InChIKeyBHJHWKQZETYZTG-UHFFFAOYSA-N
MW158.23 g/mol
LogP1.46
Rot. Bonds3

About 4-(propan-2-yloxymethyl)thiadiazole

4-(propan-2-yloxymethyl)thiadiazole (PubChem CID 171518023) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 4-(propan-2-yloxymethyl)thiadiazole.

Molecular Properties

Compound Name4-(propan-2-yloxymethyl)thiadiazole
PubChem CID171518023
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name4-(propan-2-yloxymethyl)thiadiazole
SMILESCC(C)OCc1csnn1
InChIInChI=1S/C6H10N2OS/c1-5(2)9-3-6-4-10-8-7-6/h4-5H,3H2,1-2H3
InChIKeyBHJHWKQZETYZTG-UHFFFAOYSA-N
XLogP1.46
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-yloxymethyl)thiadiazole?
The IUPAC name of 4-(propan-2-yloxymethyl)thiadiazole (CID 171518023) is 4-(propan-2-yloxymethyl)thiadiazole.
What is the SMILES notation for 4-(propan-2-yloxymethyl)thiadiazole?
The canonical SMILES for 4-(propan-2-yloxymethyl)thiadiazole is CC(C)OCc1csnn1.
What is the InChIKey of 4-(propan-2-yloxymethyl)thiadiazole?
The InChIKey is BHJHWKQZETYZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-5(2)9-3-6-4-10-8-7-6/h4-5H,3H2,1-2H3.
What are the key properties of 4-(propan-2-yloxymethyl)thiadiazole?
4-(propan-2-yloxymethyl)thiadiazole has a molecular weight of 158.23 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-yloxymethyl)thiadiazole is sourced from PubChem (CID 171518023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).