[6-(3,4-dimethylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol

C16H19N3OS — CID 82219553

IUPAC[6-(3,4-dimethylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESCc1ccc(-c2nc3sc(C(C)C)nn3c2CO)cc1C
InChIInChI=1S/C16H19N3OS/c1-9(2)15-18-19-13(8-20)14(17-16(19)21-15)12-6-5-10(3)11(4)7-12/h5-7,9,20H,8H2,1-4H3
InChIKeyVIXHROWMGNRGRJ-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.69
Rot. Bonds3

About [6-(3,4-dimethylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol

[6-(3,4-dimethylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (PubChem CID 82219553) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is [6-(3,4-dimethylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.

Molecular Properties

Compound Name[6-(3,4-dimethylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
PubChem CID82219553
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name[6-(3,4-dimethylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESCc1ccc(-c2nc3sc(C(C)C)nn3c2CO)cc1C
InChIInChI=1S/C16H19N3OS/c1-9(2)15-18-19-13(8-20)14(17-16(19)21-15)12-6-5-10(3)11(4)7-12/h5-7,9,20H,8H2,1-4H3
InChIKeyVIXHROWMGNRGRJ-UHFFFAOYSA-N
XLogP3.69
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(4-chloro-3-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961506
[6-(3,4-dimethylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961465
[6-(4-methoxy-3-methylphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219619
[6-(furan-2-yl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219843
[6-(3,4-difluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219939
5-methyl-6-(4-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209399
6-(3,4-dimethylphenyl)-2-pentan-3-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219031
[6-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219881
6-(3,4-dimethylphenyl)-2-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209833
6-naphthalen-2-yl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197859
[6-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219630
6-(3,4-dimethoxyphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197871

Frequently Asked Questions

What is the IUPAC name of [6-(3,4-dimethylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The IUPAC name of [6-(3,4-dimethylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (CID 82219553) is [6-(3,4-dimethylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.
What is the SMILES notation for [6-(3,4-dimethylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The canonical SMILES for [6-(3,4-dimethylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is Cc1ccc(-c2nc3sc(C(C)C)nn3c2CO)cc1C.
What is the InChIKey of [6-(3,4-dimethylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The InChIKey is VIXHROWMGNRGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-9(2)15-18-19-13(8-20)14(17-16(19)21-15)12-6-5-10(3)11(4)7-12/h5-7,9,20H,8H2,1-4H3.
What are the key properties of [6-(3,4-dimethylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
[6-(3,4-dimethylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol has a molecular weight of 301.42 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4-dimethylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is sourced from PubChem (CID 82219553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).