[2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol

C13H13N3O2S — CID 82219724

IUPAC[2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESCOc1cccc(-c2nn3c(CO)c(C)nc3s2)c1
InChIInChI=1S/C13H13N3O2S/c1-8-11(7-17)16-13(14-8)19-12(15-16)9-4-3-5-10(6-9)18-2/h3-6,17H,7H2,1-2H3
InChIKeyQWGGXPJBTPCJFT-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.27
Rot. Bonds3

About [2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol

[2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (PubChem CID 82219724) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
PubChem CID82219724
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name[2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESCOc1cccc(-c2nn3c(CO)c(C)nc3s2)c1
InChIInChI=1S/C13H13N3O2S/c1-8-11(7-17)16-13(14-8)19-12(15-16)9-4-3-5-10(6-9)18-2/h3-6,17H,7H2,1-2H3
InChIKeyQWGGXPJBTPCJFT-UHFFFAOYSA-N
XLogP2.27
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-tert-butyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961529
1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one
CID 82302253
[2-(3-methylphenyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961602
2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid
CID 98018913
6-tert-butyl-2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 94961266
5-methoxy-2-(3-methoxyphenyl)-4-methyl-1,3-thiazole
CID 116887585
2-(dimethylamino)-1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 143281589
2-[2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]ethanamine
CID 28808717
2-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 90359967
6-(3-bromophenyl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 11840636
2-[3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetic acid
CID 82047774
N-(2,5-dimethylphenyl)-4-[[2-(3-methoxyphenyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl]piperazine-1-carboxamide
CID 50803640

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The IUPAC name of [2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (CID 82219724) is [2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.
What is the SMILES notation for [2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The canonical SMILES for [2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is COc1cccc(-c2nn3c(CO)c(C)nc3s2)c1.
What is the InChIKey of [2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The InChIKey is QWGGXPJBTPCJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-8-11(7-17)16-13(14-8)19-12(15-16)9-4-3-5-10(6-9)18-2/h3-6,17H,7H2,1-2H3.
What are the key properties of [2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
[2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol has a molecular weight of 275.33 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is sourced from PubChem (CID 82219724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).