2-(5-bromo-2-cyclopropylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenol

C13H10BrN3OS — CID 54768928

IUPAC2-(5-bromo-2-cyclopropylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenol
SMILESOc1ccccc1-c1nc2sc(C3CC3)nn2c1Br
InChIInChI=1S/C13H10BrN3OS/c14-11-10(8-3-1-2-4-9(8)18)15-13-17(11)16-12(19-13)7-5-6-7/h1-4,7,18H,5-6H2
InChIKeyTYADUORGRLAMAF-UHFFFAOYSA-N
MW336.21 g/mol
LogP3.80
Rot. Bonds2

About 2-(5-bromo-2-cyclopropylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenol

2-(5-bromo-2-cyclopropylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenol (PubChem CID 54768928) has the molecular formula C13H10BrN3OS and a molecular weight of 336.21 g/mol. Its IUPAC name is 2-(5-bromo-2-cyclopropylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenol.

Molecular Properties

Compound Name2-(5-bromo-2-cyclopropylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenol
PubChem CID54768928
Molecular FormulaC13H10BrN3OS
Molecular Weight336.21 g/mol
Exact Mass334.97
IUPAC Name2-(5-bromo-2-cyclopropylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenol
SMILESOc1ccccc1-c1nc2sc(C3CC3)nn2c1Br
InChIInChI=1S/C13H10BrN3OS/c14-11-10(8-3-1-2-4-9(8)18)15-13-17(11)16-12(19-13)7-5-6-7/h1-4,7,18H,5-6H2
InChIKeyTYADUORGRLAMAF-UHFFFAOYSA-N
XLogP3.80
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219437
2-cyclopropyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazole
CID 91112134
2-cyclopropyl-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197951
2-cyclohexyl-6-(2-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198012
2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219083
5-bromo-2-[(1R,3S)-3-[5-bromo-6-(4-bromophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1,2,2-trimethylcyclopentyl]-6-(4-bromophenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 45378451
4-bromo-2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenol
CID 136991491
[2-cyclobutyl-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961521
2-cyclohexyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 94961329
2-cyclopropyl-6-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219460
ethyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylate
CID 71264813
2-cyclopropyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197982

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-cyclopropylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenol?
The IUPAC name of 2-(5-bromo-2-cyclopropylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenol (CID 54768928) is 2-(5-bromo-2-cyclopropylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenol.
What is the SMILES notation for 2-(5-bromo-2-cyclopropylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenol?
The canonical SMILES for 2-(5-bromo-2-cyclopropylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenol is Oc1ccccc1-c1nc2sc(C3CC3)nn2c1Br.
What is the InChIKey of 2-(5-bromo-2-cyclopropylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenol?
The InChIKey is TYADUORGRLAMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3OS/c14-11-10(8-3-1-2-4-9(8)18)15-13-17(11)16-12(19-13)7-5-6-7/h1-4,7,18H,5-6H2.
What are the key properties of 2-(5-bromo-2-cyclopropylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenol?
2-(5-bromo-2-cyclopropylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenol has a molecular weight of 336.21 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-cyclopropylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenol is sourced from PubChem (CID 54768928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).