[2-(methoxymethyl)-6-(4-propylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol

C16H19N3O2S — CID 94961681

IUPAC[2-(methoxymethyl)-6-(4-propylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESCCCc1ccc(-c2nc3sc(COC)nn3c2CO)cc1
InChIInChI=1S/C16H19N3O2S/c1-3-4-11-5-7-12(8-6-11)15-13(9-20)19-16(17-15)22-14(18-19)10-21-2/h5-8,20H,3-4,9-10H2,1-2H3
InChIKeyNGAHXHOWRHGHOV-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.05
Rot. Bonds6

About [2-(methoxymethyl)-6-(4-propylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol

[2-(methoxymethyl)-6-(4-propylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (PubChem CID 94961681) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is [2-(methoxymethyl)-6-(4-propylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(methoxymethyl)-6-(4-propylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
PubChem CID94961681
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name[2-(methoxymethyl)-6-(4-propylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESCCCc1ccc(-c2nc3sc(COC)nn3c2CO)cc1
InChIInChI=1S/C16H19N3O2S/c1-3-4-11-5-7-12(8-6-11)15-13(9-20)19-16(17-15)22-14(18-19)10-21-2/h5-8,20H,3-4,9-10H2,1-2H3
InChIKeyNGAHXHOWRHGHOV-UHFFFAOYSA-N
XLogP3.05
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-butyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961469
[2-propyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219575
6-(4-ethylphenyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219042
[6-(1,3-benzodioxol-5-yl)-2-propylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961567
[6-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219630
[6-phenyl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219535
[6-(3,4-dimethylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961465
[6-methyl-2-(2-phenylethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219738
[2-tert-butyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219587
[2-cyclobutyl-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961521
[6-(2,5-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961566
[6-(4-methoxy-3-methylphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219619

Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)-6-(4-propylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The IUPAC name of [2-(methoxymethyl)-6-(4-propylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (CID 94961681) is [2-(methoxymethyl)-6-(4-propylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.
What is the SMILES notation for [2-(methoxymethyl)-6-(4-propylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The canonical SMILES for [2-(methoxymethyl)-6-(4-propylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is CCCc1ccc(-c2nc3sc(COC)nn3c2CO)cc1.
What is the InChIKey of [2-(methoxymethyl)-6-(4-propylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The InChIKey is NGAHXHOWRHGHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-3-4-11-5-7-12(8-6-11)15-13(9-20)19-16(17-15)22-14(18-19)10-21-2/h5-8,20H,3-4,9-10H2,1-2H3.
What are the key properties of [2-(methoxymethyl)-6-(4-propylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
[2-(methoxymethyl)-6-(4-propylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol has a molecular weight of 317.41 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)-6-(4-propylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is sourced from PubChem (CID 94961681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).