3-bromo-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole

C6H9BrN2OS — CID 102943243

IUPAC3-bromo-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole
SMILESCC(C)OCc1nc(Br)ns1
InChIInChI=1S/C6H9BrN2OS/c1-4(2)10-3-5-8-6(7)9-11-5/h4H,3H2,1-2H3
InChIKeyDATJRDAKMYFNKC-UHFFFAOYSA-N
MW237.12 g/mol
LogP2.23
Rot. Bonds3

About 3-bromo-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole

3-bromo-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole (PubChem CID 102943243) has the molecular formula C6H9BrN2OS and a molecular weight of 237.12 g/mol. Its IUPAC name is 3-bromo-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-bromo-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole
PubChem CID102943243
Molecular FormulaC6H9BrN2OS
Molecular Weight237.12 g/mol
Exact Mass235.96
IUPAC Name3-bromo-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole
SMILESCC(C)OCc1nc(Br)ns1
InChIInChI=1S/C6H9BrN2OS/c1-4(2)10-3-5-8-6(7)9-11-5/h4H,3H2,1-2H3
InChIKeyDATJRDAKMYFNKC-UHFFFAOYSA-N
XLogP2.23
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.12
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-bromo-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole with MolForge

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

Launch Full Analysis

Related Compounds

3-chloro-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole
CID 102943908
3-bromo-5-(2,3,3-trimethylbutyl)-1,2,4-thiadiazole
CID 102943481
3-bromo-5-(3-methoxy-2-methylpropyl)-1,2,4-thiadiazole
CID 102943206
3-(propan-2-yloxymethyl)-1,2,4-thiadiazol-5-amine
CID 83874182
3-bromo-1-methyl-5-(propan-2-yloxymethyl)-1,2,4-triazole
CID 83895889
5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine
CID 80607952
3-bromo-5-(2-cyclopropylethyl)-1,2,4-thiadiazole
CID 130871494
1-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 112605768
3-bromo-5-[2-(2-methylpropyl)cyclopropyl]-1,2,4-thiadiazole
CID 130948896
3-bromo-5-(5,6-dimethyl-2-pyridinyl)-1,2,4-thiadiazole
CID 130689955
N',N'-dimethyl-1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635243
2-chloro-3-(propan-2-yloxymethyl)thiophene
CID 171518030

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole?
The IUPAC name of 3-bromo-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole (CID 102943243) is 3-bromo-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-bromo-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-bromo-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole is CC(C)OCc1nc(Br)ns1.
What is the InChIKey of 3-bromo-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole?
The InChIKey is DATJRDAKMYFNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2OS/c1-4(2)10-3-5-8-6(7)9-11-5/h4H,3H2,1-2H3.
What are the key properties of 3-bromo-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole?
3-bromo-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole has a molecular weight of 237.12 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102943243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).