4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine

C13H10BrFN4OS — CID 107280112

IUPAC4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
SMILESCNc1snc(C)c1-c1nc(-c2ccc(F)cc2Br)no1
InChIInChI=1S/C13H10BrFN4OS/c1-6-10(13(16-2)21-19-6)12-17-11(18-20-12)8-4-3-7(15)5-9(8)14/h3-5,16H,1-2H3
InChIKeyHHYABNRTQCJMBS-UHFFFAOYSA-N
MW369.22 g/mol
LogP4.11
Rot. Bonds3

About 4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine

4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine (PubChem CID 107280112) has the molecular formula C13H10BrFN4OS and a molecular weight of 369.22 g/mol. Its IUPAC name is 4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine.

Molecular Properties

Compound Name4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
PubChem CID107280112
Molecular FormulaC13H10BrFN4OS
Molecular Weight369.22 g/mol
Exact Mass367.97
IUPAC Name4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
SMILESCNc1snc(C)c1-c1nc(-c2ccc(F)cc2Br)no1
InChIInChI=1S/C13H10BrFN4OS/c1-6-10(13(16-2)21-19-6)12-17-11(18-20-12)8-4-3-7(15)5-9(8)14/h3-5,16H,1-2H3
InChIKeyHHYABNRTQCJMBS-UHFFFAOYSA-N
XLogP4.11
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine?
The IUPAC name of 4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine (CID 107280112) is 4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine.
What is the SMILES notation for 4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine?
The canonical SMILES for 4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine is CNc1snc(C)c1-c1nc(-c2ccc(F)cc2Br)no1.
What is the InChIKey of 4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine?
The InChIKey is HHYABNRTQCJMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN4OS/c1-6-10(13(16-2)21-19-6)12-17-11(18-20-12)8-4-3-7(15)5-9(8)14/h3-5,16H,1-2H3.
What are the key properties of 4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine?
4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine has a molecular weight of 369.22 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine is sourced from PubChem (CID 107280112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).