2-bromo-5-(4-chloro-3,5-dimethylphenoxy)-1,3,4-thiadiazole

C10H8BrClN2OS — CID 64623656

IUPAC2-bromo-5-(4-chloro-3,5-dimethylphenoxy)-1,3,4-thiadiazole
SMILESCc1cc(Oc2nnc(Br)s2)cc(C)c1Cl
InChIInChI=1S/C10H8BrClN2OS/c1-5-3-7(4-6(2)8(5)12)15-10-14-13-9(11)16-10/h3-4H,1-2H3
InChIKeyLVHPLTOWTCPJQV-UHFFFAOYSA-N
MW319.61 g/mol
LogP4.36
Rot. Bonds2

About 2-bromo-5-(4-chloro-3,5-dimethylphenoxy)-1,3,4-thiadiazole

2-bromo-5-(4-chloro-3,5-dimethylphenoxy)-1,3,4-thiadiazole (PubChem CID 64623656) has the molecular formula C10H8BrClN2OS and a molecular weight of 319.61 g/mol. Its IUPAC name is 2-bromo-5-(4-chloro-3,5-dimethylphenoxy)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(4-chloro-3,5-dimethylphenoxy)-1,3,4-thiadiazole
PubChem CID64623656
Molecular FormulaC10H8BrClN2OS
Molecular Weight319.61 g/mol
Exact Mass317.92
IUPAC Name2-bromo-5-(4-chloro-3,5-dimethylphenoxy)-1,3,4-thiadiazole
SMILESCc1cc(Oc2nnc(Br)s2)cc(C)c1Cl
InChIInChI=1S/C10H8BrClN2OS/c1-5-3-7(4-6(2)8(5)12)15-10-14-13-9(11)16-10/h3-4H,1-2H3
InChIKeyLVHPLTOWTCPJQV-UHFFFAOYSA-N
XLogP4.36
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.61
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4-chloro-3,5-dimethylphenoxy)-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(4-chloro-3,5-dimethylphenoxy)-1,3,4-thiadiazole (CID 64623656) is 2-bromo-5-(4-chloro-3,5-dimethylphenoxy)-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(4-chloro-3,5-dimethylphenoxy)-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(4-chloro-3,5-dimethylphenoxy)-1,3,4-thiadiazole is Cc1cc(Oc2nnc(Br)s2)cc(C)c1Cl.
What is the InChIKey of 2-bromo-5-(4-chloro-3,5-dimethylphenoxy)-1,3,4-thiadiazole?
The InChIKey is LVHPLTOWTCPJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2OS/c1-5-3-7(4-6(2)8(5)12)15-10-14-13-9(11)16-10/h3-4H,1-2H3.
What are the key properties of 2-bromo-5-(4-chloro-3,5-dimethylphenoxy)-1,3,4-thiadiazole?
2-bromo-5-(4-chloro-3,5-dimethylphenoxy)-1,3,4-thiadiazole has a molecular weight of 319.61 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4-chloro-3,5-dimethylphenoxy)-1,3,4-thiadiazole is sourced from PubChem (CID 64623656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).