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

C16H17N3O2S — CID 94961521

IUPAC[2-cyclobutyl-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESCOc1ccc(-c2nc3sc(C4CCC4)nn3c2CO)cc1
InChIInChI=1S/C16H17N3O2S/c1-21-12-7-5-10(6-8-12)14-13(9-20)19-16(17-14)22-15(18-19)11-3-2-4-11/h5-8,11,20H,2-4,9H2,1H3
InChIKeyGDTAOYOWMJVITC-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.23
Rot. Bonds4

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

[2-cyclobutyl-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (PubChem CID 94961521) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is [2-cyclobutyl-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-cyclobutyl-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
PubChem CID94961521
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name[2-cyclobutyl-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESCOc1ccc(-c2nc3sc(C4CCC4)nn3c2CO)cc1
InChIInChI=1S/C16H17N3O2S/c1-21-12-7-5-10(6-8-12)14-13(9-20)19-16(17-14)22-15(18-19)11-3-2-4-11/h5-8,11,20H,2-4,9H2,1H3
InChIKeyGDTAOYOWMJVITC-UHFFFAOYSA-N
XLogP3.23
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclohexyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 932850
[6-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219630
(2-cyclohexyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol
CID 82219776
2-cyclopropyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197982
[2-tert-butyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961529
2-cyclopropyl-6-(4-propoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219120
2-cyclopropyl-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197951
[6-(4-methoxy-3-methylphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219619
ethyl 2-cyclopropyl-5-(hydroxymethyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylate
CID 82219959
[6-(furan-2-yl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219849
[2-tert-butyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219587
[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 [2-cyclobutyl-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The IUPAC name of [2-cyclobutyl-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (CID 94961521) is [2-cyclobutyl-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.
What is the SMILES notation for [2-cyclobutyl-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The canonical SMILES for [2-cyclobutyl-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is COc1ccc(-c2nc3sc(C4CCC4)nn3c2CO)cc1.
What is the InChIKey of [2-cyclobutyl-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The InChIKey is GDTAOYOWMJVITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-21-12-7-5-10(6-8-12)14-13(9-20)19-16(17-14)22-15(18-19)11-3-2-4-11/h5-8,11,20H,2-4,9H2,1H3.
What are the key properties of [2-cyclobutyl-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
[2-cyclobutyl-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol has a molecular weight of 315.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclobutyl-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is sourced from PubChem (CID 94961521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).