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

C17H21N3OS — CID 94961469

IUPAC[2-butyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESCCCCc1nn2c(CO)c(-c3ccc(CC)cc3)nc2s1
InChIInChI=1S/C17H21N3OS/c1-3-5-6-15-19-20-14(11-21)16(18-17(20)22-15)13-9-7-12(4-2)8-10-13/h7-10,21H,3-6,11H2,1-2H3
InChIKeyBKGIMQWPYFJBJH-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.86
Rot. Bonds6

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

[2-butyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (PubChem CID 94961469) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is [2-butyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-butyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
PubChem CID94961469
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name[2-butyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESCCCCc1nn2c(CO)c(-c3ccc(CC)cc3)nc2s1
InChIInChI=1S/C17H21N3OS/c1-3-5-6-15-19-20-14(11-21)16(18-17(20)22-15)13-9-7-12(4-2)8-10-13/h7-10,21H,3-6,11H2,1-2H3
InChIKeyBKGIMQWPYFJBJH-UHFFFAOYSA-N
XLogP3.86
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-butyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(methoxymethyl)-6-(4-propylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961681
[2-propyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219575
[6-(1,3-benzodioxol-5-yl)-2-propylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961567
2-(2-cyclohexylethyl)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198215
[6-phenyl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219535
[6-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219630
[6-(3,4-dimethylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961465
[2-tert-butyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219587
2-butyl-5-(4-ethylphenyl)-1,3,4-thiadiazole
CID 19880000
6-(4-ethylphenyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219042
[6-methyl-2-(2-phenylethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219738
2-butyl-[1,3,4]thiadiazolo[3,2-a]benzimidazol-7-ol
CID 121000925

Frequently Asked Questions

What is the IUPAC name of [2-butyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The IUPAC name of [2-butyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (CID 94961469) is [2-butyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.
What is the SMILES notation for [2-butyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The canonical SMILES for [2-butyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is CCCCc1nn2c(CO)c(-c3ccc(CC)cc3)nc2s1.
What is the InChIKey of [2-butyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The InChIKey is BKGIMQWPYFJBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-3-5-6-15-19-20-14(11-21)16(18-17(20)22-15)13-9-7-12(4-2)8-10-13/h7-10,21H,3-6,11H2,1-2H3.
What are the key properties of [2-butyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
[2-butyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol has a molecular weight of 315.44 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-butyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is sourced from PubChem (CID 94961469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).