2,5-dimethyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole

C9H13N3S — CID 107646622

IUPAC2,5-dimethyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nn2c(C)c(C(C)C)nc2s1
InChIInChI=1S/C9H13N3S/c1-5(2)8-6(3)12-9(10-8)13-7(4)11-12/h5H,1-4H3
InChIKeyDSLPHPRHJTUDIJ-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.53
Rot. Bonds1

About 2,5-dimethyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole

2,5-dimethyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 107646622) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 2,5-dimethyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2,5-dimethyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID107646622
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name2,5-dimethyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nn2c(C)c(C(C)C)nc2s1
InChIInChI=1S/C9H13N3S/c1-5(2)8-6(3)12-9(10-8)13-7(4)11-12/h5H,1-4H3
InChIKeyDSLPHPRHJTUDIJ-UHFFFAOYSA-N
XLogP2.53
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethynyl-2,5-dimethylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646710
2-methyl-N-phenyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152162
4-methyl-2-[[(2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylamino]methyl]pentanoic acid
CID 122127737
N-(2-ethylphenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152157
N-[(3,4-dimethylphenyl)methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152153
N-(2,5-difluorophenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152145
2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219230
2,3-dimethyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 83085911
6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 134612538
5-methyl-6-(4-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209399
2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl chloride
CID 139754280
5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 120767446

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2,5-dimethyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole (CID 107646622) is 2,5-dimethyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2,5-dimethyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2,5-dimethyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole is Cc1nn2c(C)c(C(C)C)nc2s1.
What is the InChIKey of 2,5-dimethyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is DSLPHPRHJTUDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-5(2)8-6(3)12-9(10-8)13-7(4)11-12/h5H,1-4H3.
What are the key properties of 2,5-dimethyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
2,5-dimethyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 195.29 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 107646622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).