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

C13H15N3OS2 — CID 82219651

IUPAC(2-tert-butyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol
SMILESCC(C)(C)c1nn2c(CO)c(-c3cccs3)nc2s1
InChIInChI=1S/C13H15N3OS2/c1-13(2,3)11-15-16-8(7-17)10(14-12(16)19-11)9-5-4-6-18-9/h4-6,17H,7H2,1-3H3
InChIKeyLACQAHRECVHRGZ-UHFFFAOYSA-N
MW293.42 g/mol
LogP3.31
Rot. Bonds2

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

(2-tert-butyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol (PubChem CID 82219651) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is (2-tert-butyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(2-tert-butyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol
PubChem CID82219651
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC Name(2-tert-butyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol
SMILESCC(C)(C)c1nn2c(CO)c(-c3cccs3)nc2s1
InChIInChI=1S/C13H15N3OS2/c1-13(2,3)11-15-16-8(7-17)10(14-12(16)19-11)9-5-4-6-18-9/h4-6,17H,7H2,1-3H3
InChIKeyLACQAHRECVHRGZ-UHFFFAOYSA-N
XLogP3.31
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-tert-butyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219587
[6-phenyl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219535
2-bromo-5-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 61334124
2-(6-methyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)acetic acid
CID 98022499
2-(3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid
CID 82062357
2-[(dimethylamino)methyl]-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227401
2-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82068792
tert-butyl 4-amino-5-ethyl-3-thiophen-2-ylpyrazole-1-carboxylate
CID 42685560
[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
2-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 94961253
[6-(2,5-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961566

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol?
The IUPAC name of (2-tert-butyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol (CID 82219651) is (2-tert-butyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol.
What is the SMILES notation for (2-tert-butyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol?
The canonical SMILES for (2-tert-butyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol is CC(C)(C)c1nn2c(CO)c(-c3cccs3)nc2s1.
What is the InChIKey of (2-tert-butyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol?
The InChIKey is LACQAHRECVHRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c1-13(2,3)11-15-16-8(7-17)10(14-12(16)19-11)9-5-4-6-18-9/h4-6,17H,7H2,1-3H3.
What are the key properties of (2-tert-butyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol?
(2-tert-butyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol has a molecular weight of 293.42 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol is sourced from PubChem (CID 82219651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).