[5-(2-bromo-4-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol

C9H6BrClN2O2S — CID 80618543

IUPAC[5-(2-bromo-4-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol
SMILESOCc1nnc(Oc2ccc(Cl)cc2Br)s1
InChIInChI=1S/C9H6BrClN2O2S/c10-6-3-5(11)1-2-7(6)15-9-13-12-8(4-14)16-9/h1-3,14H,4H2
InChIKeyKJFNXJMCQYPNAZ-UHFFFAOYSA-N
MW321.58 g/mol
LogP3.24
Rot. Bonds3

About [5-(2-bromo-4-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol

[5-(2-bromo-4-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol (PubChem CID 80618543) has the molecular formula C9H6BrClN2O2S and a molecular weight of 321.58 g/mol. Its IUPAC name is [5-(2-bromo-4-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-(2-bromo-4-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol
PubChem CID80618543
Molecular FormulaC9H6BrClN2O2S
Molecular Weight321.58 g/mol
Exact Mass319.90
IUPAC Name[5-(2-bromo-4-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol
SMILESOCc1nnc(Oc2ccc(Cl)cc2Br)s1
InChIInChI=1S/C9H6BrClN2O2S/c10-6-3-5(11)1-2-7(6)15-9-13-12-8(4-14)16-9/h1-3,14H,4H2
InChIKeyKJFNXJMCQYPNAZ-UHFFFAOYSA-N
XLogP3.24
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.58
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(2-bromo-4-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 80620748
[5-(3-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol
CID 80619716
[3-bromo-4-(2-bromo-4-chlorophenoxy)phenyl]methanol
CID 114062434
[5-(3-chloro-4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanol
CID 80618555
[2-(2-bromo-4-chlorophenoxy)-6-methyl-4-pyridinyl]methanol
CID 113378798
5-(2-bromo-4-chlorophenoxy)-3-methyl-1,2,4-thiadiazole
CID 133424725
[2-(2-bromo-4-chlorophenoxy)-4,6-dimethyl-3-pyridinyl]methanol
CID 61256518
2-bromo-4-chloro-1-(2-chlorophenoxy)benzene
CID 169336335
[2-(2-bromo-4-methylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol
CID 80693554
[5-(3,4-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methanol
CID 80619196
1-[5-(2-bromophenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 80623405
[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]methanol
CID 114845999

Frequently Asked Questions

What is the IUPAC name of [5-(2-bromo-4-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol?
The IUPAC name of [5-(2-bromo-4-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol (CID 80618543) is [5-(2-bromo-4-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol.
What is the SMILES notation for [5-(2-bromo-4-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol?
The canonical SMILES for [5-(2-bromo-4-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol is OCc1nnc(Oc2ccc(Cl)cc2Br)s1.
What is the InChIKey of [5-(2-bromo-4-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol?
The InChIKey is KJFNXJMCQYPNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2O2S/c10-6-3-5(11)1-2-7(6)15-9-13-12-8(4-14)16-9/h1-3,14H,4H2.
What are the key properties of [5-(2-bromo-4-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol?
[5-(2-bromo-4-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol has a molecular weight of 321.58 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-bromo-4-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol is sourced from PubChem (CID 80618543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).