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

C14H15N3O2S — CID 82219630

IUPAC[6-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESCCOc1ccc(-c2nc3sc(C)nn3c2CO)cc1
InChIInChI=1S/C14H15N3O2S/c1-3-19-11-6-4-10(5-7-11)13-12(8-18)17-14(15-13)20-9(2)16-17/h4-7,18H,3,8H2,1-2H3
InChIKeyFOCYAYFUGZDEQN-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.66
Rot. Bonds4

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

[6-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (PubChem CID 82219630) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is [6-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.

Molecular Properties

Compound Name[6-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
PubChem CID82219630
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name[6-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESCCOc1ccc(-c2nc3sc(C)nn3c2CO)cc1
InChIInChI=1S/C14H15N3O2S/c1-3-19-11-6-4-10(5-7-11)13-12(8-18)17-14(15-13)20-9(2)16-17/h4-7,18H,3,8H2,1-2H3
InChIKeyFOCYAYFUGZDEQN-UHFFFAOYSA-N
XLogP2.66
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(3,4-difluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219939
[6-(4-methoxy-3-methylphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219619
[6-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219881
5-ethyl-2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646481
[4-(4-ethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanol
CID 131866767
2-methyl-6-(4-propoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197835
6-(4-ethoxyphenyl)-5-methyl-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209940
[2-cyclobutyl-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961521
[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol
CID 116867366
[2-tert-butyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219587
6-(4-ethoxyphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198036
[2-(methoxymethyl)-6-(4-propylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961681

Frequently Asked Questions

What is the IUPAC name of [6-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The IUPAC name of [6-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (CID 82219630) is [6-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.
What is the SMILES notation for [6-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The canonical SMILES for [6-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is CCOc1ccc(-c2nc3sc(C)nn3c2CO)cc1.
What is the InChIKey of [6-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The InChIKey is FOCYAYFUGZDEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-3-19-11-6-4-10(5-7-11)13-12(8-18)17-14(15-13)20-9(2)16-17/h4-7,18H,3,8H2,1-2H3.
What are the key properties of [6-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
[6-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol has a molecular weight of 289.36 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is sourced from PubChem (CID 82219630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).