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

C15H16FN3OS — CID 82219587

IUPAC[2-tert-butyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESCC(C)(C)c1nn2c(CO)c(-c3ccc(F)cc3)nc2s1
InChIInChI=1S/C15H16FN3OS/c1-15(2,3)13-18-19-11(8-20)12(17-14(19)21-13)9-4-6-10(16)7-5-9/h4-7,20H,8H2,1-3H3
InChIKeyGUYXNOWCTGGSRR-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.39
Rot. Bonds2

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

[2-tert-butyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (PubChem CID 82219587) has the molecular formula C15H16FN3OS and a molecular weight of 305.38 g/mol. Its IUPAC name is [2-tert-butyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-tert-butyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
PubChem CID82219587
Molecular FormulaC15H16FN3OS
Molecular Weight305.38 g/mol
Exact Mass305.10
IUPAC Name[2-tert-butyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESCC(C)(C)c1nn2c(CO)c(-c3ccc(F)cc3)nc2s1
InChIInChI=1S/C15H16FN3OS/c1-15(2,3)13-18-19-11(8-20)12(17-14(19)21-13)9-4-6-10(16)7-5-9/h4-7,20H,8H2,1-3H3
InChIKeyGUYXNOWCTGGSRR-UHFFFAOYSA-N
XLogP3.39
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-tert-butyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961529
[6-(3,4-difluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219939
[6-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219630
[5-(4-fluorophenyl)-3-methylimidazol-4-yl]methanol
CID 10560192
[2-butyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961469
[6-(4-tert-butylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 82367673
[6-phenyl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219535
[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-tert-butyl-4-(4-fluorophenyl)-1,3-thiazol-5-amine
CID 62076851
[6-(3,4-dimethylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219553
[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-tert-butyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The IUPAC name of [2-tert-butyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (CID 82219587) is [2-tert-butyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.
What is the SMILES notation for [2-tert-butyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The canonical SMILES for [2-tert-butyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is CC(C)(C)c1nn2c(CO)c(-c3ccc(F)cc3)nc2s1.
What is the InChIKey of [2-tert-butyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The InChIKey is GUYXNOWCTGGSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3OS/c1-15(2,3)13-18-19-11(8-20)12(17-14(19)21-13)9-4-6-10(16)7-5-9/h4-7,20H,8H2,1-3H3.
What are the key properties of [2-tert-butyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
[2-tert-butyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol has a molecular weight of 305.38 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is sourced from PubChem (CID 82219587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).