2-bromo-5-methyl-6-(oxolan-3-yl)imidazo[2,1-b][1,3,4]thiadiazole

C9H10BrN3OS — CID 130503537

IUPAC2-bromo-5-methyl-6-(oxolan-3-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1c(C2CCOC2)nc2sc(Br)nn12
InChIInChI=1S/C9H10BrN3OS/c1-5-7(6-2-3-14-4-6)11-9-13(5)12-8(10)15-9/h6H,2-4H2,1H3
InChIKeyPTGKXFNWQOIMLN-UHFFFAOYSA-N
MW288.17 g/mol
LogP2.37
Rot. Bonds1

About 2-bromo-5-methyl-6-(oxolan-3-yl)imidazo[2,1-b][1,3,4]thiadiazole

2-bromo-5-methyl-6-(oxolan-3-yl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 130503537) has the molecular formula C9H10BrN3OS and a molecular weight of 288.17 g/mol. Its IUPAC name is 2-bromo-5-methyl-6-(oxolan-3-yl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-bromo-5-methyl-6-(oxolan-3-yl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID130503537
Molecular FormulaC9H10BrN3OS
Molecular Weight288.17 g/mol
Exact Mass286.97
IUPAC Name2-bromo-5-methyl-6-(oxolan-3-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1c(C2CCOC2)nc2sc(Br)nn12
InChIInChI=1S/C9H10BrN3OS/c1-5-7(6-2-3-14-4-6)11-9-13(5)12-8(10)15-9/h6H,2-4H2,1H3
InChIKeyPTGKXFNWQOIMLN-UHFFFAOYSA-N
XLogP2.37
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanone
CID 130503595
3,5,7-trimethyl-2-(oxolan-3-yl)imidazo[1,2-a]pyrimidine
CID 114266902
[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]methanol
CID 115021751
7-fluoro-3-methyl-2-(oxolan-3-yl)imidazo[1,2-a]pyridine
CID 71251291
2-bromo-7-cyclopropyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 164886189
2-cyclopropyl-4-(oxolan-3-yl)-1,3-thiazole-5-carboxylic acid
CID 115043101
4-bromo-11-oxa-5-thia-2,3,7-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,6-triene
CID 43608944
2-bromo-4-(oxolan-3-yl)-1,3-thiazole
CID 104756423
6-cyclopropyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646795
1-(2-methylphenyl)-3-(oxolan-3-yl)pyrazol-4-amine
CID 113483567
6-(3-methylpiperidin-2-yl)-3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 107070568
3-(5-methylthiophen-2-yl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117160343

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-6-(oxolan-3-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-bromo-5-methyl-6-(oxolan-3-yl)imidazo[2,1-b][1,3,4]thiadiazole (CID 130503537) is 2-bromo-5-methyl-6-(oxolan-3-yl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-bromo-5-methyl-6-(oxolan-3-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-bromo-5-methyl-6-(oxolan-3-yl)imidazo[2,1-b][1,3,4]thiadiazole is Cc1c(C2CCOC2)nc2sc(Br)nn12.
What is the InChIKey of 2-bromo-5-methyl-6-(oxolan-3-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is PTGKXFNWQOIMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3OS/c1-5-7(6-2-3-14-4-6)11-9-13(5)12-8(10)15-9/h6H,2-4H2,1H3.
What are the key properties of 2-bromo-5-methyl-6-(oxolan-3-yl)imidazo[2,1-b][1,3,4]thiadiazole?
2-bromo-5-methyl-6-(oxolan-3-yl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 288.17 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-6-(oxolan-3-yl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 130503537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).