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

C15H17N3O3S — CID 94961566

IUPAC[6-(2,5-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESCCc1nn2c(CO)c(-c3cc(OC)ccc3OC)nc2s1
InChIInChI=1S/C15H17N3O3S/c1-4-13-17-18-11(8-19)14(16-15(18)22-13)10-7-9(20-2)5-6-12(10)21-3/h5-7,19H,4,8H2,1-3H3
InChIKeyKYHJPUSYGPJWAN-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.53
Rot. Bonds5

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

[6-(2,5-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (PubChem CID 94961566) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is [6-(2,5-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.

Molecular Properties

Compound Name[6-(2,5-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
PubChem CID94961566
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name[6-(2,5-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESCCc1nn2c(CO)c(-c3cc(OC)ccc3OC)nc2s1
InChIInChI=1S/C15H17N3O3S/c1-4-13-17-18-11(8-19)14(16-15(18)22-13)10-7-9(20-2)5-6-12(10)21-3/h5-7,19H,4,8H2,1-3H3
InChIKeyKYHJPUSYGPJWAN-UHFFFAOYSA-N
XLogP2.53
TPSA68.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[6-(4-methoxy-3-methylphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219619
6-(2,5-dimethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219220
[2-tert-butyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961529
6-(2,4-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646364
6-(3,4-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197939
6-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219222
2-ethyl-5-(2-naphthalen-2-ylphenyl)-6-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 122213514
[2-cyclobutyl-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961521
[2-(methoxymethyl)-6-(4-propylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961681
[2-butyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961469
[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]methanol
CID 39354147
[2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine
CID 82035158

Frequently Asked Questions

What is the IUPAC name of [6-(2,5-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The IUPAC name of [6-(2,5-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (CID 94961566) is [6-(2,5-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.
What is the SMILES notation for [6-(2,5-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The canonical SMILES for [6-(2,5-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is CCc1nn2c(CO)c(-c3cc(OC)ccc3OC)nc2s1.
What is the InChIKey of [6-(2,5-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The InChIKey is KYHJPUSYGPJWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-4-13-17-18-11(8-19)14(16-15(18)22-13)10-7-9(20-2)5-6-12(10)21-3/h5-7,19H,4,8H2,1-3H3.
What are the key properties of [6-(2,5-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
[6-(2,5-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol has a molecular weight of 319.39 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,5-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is sourced from PubChem (CID 94961566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).