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

C13H11BrN4OS — CID 79392299

IUPAC4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
SMILESCNc1snc(C)c1-c1nc(-c2cccc(Br)c2)no1
InChIInChI=1S/C13H11BrN4OS/c1-7-10(13(15-2)20-18-7)12-16-11(17-19-12)8-4-3-5-9(14)6-8/h3-6,15H,1-2H3
InChIKeySTSKKDBBYSXGFG-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.97
Rot. Bonds3

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

4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine (PubChem CID 79392299) has the molecular formula C13H11BrN4OS and a molecular weight of 351.23 g/mol. Its IUPAC name is 4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine.

Molecular Properties

Compound Name4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
PubChem CID79392299
Molecular FormulaC13H11BrN4OS
Molecular Weight351.23 g/mol
Exact Mass349.98
IUPAC Name4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
SMILESCNc1snc(C)c1-c1nc(-c2cccc(Br)c2)no1
InChIInChI=1S/C13H11BrN4OS/c1-7-10(13(15-2)20-18-7)12-16-11(17-19-12)8-4-3-5-9(14)6-8/h3-6,15H,1-2H3
InChIKeySTSKKDBBYSXGFG-UHFFFAOYSA-N
XLogP3.97
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921085
N,3-dimethyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,2-thiazol-5-amine
CID 79391228
4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
CID 107280112
4-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
CID 107923395
4-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
CID 103442639
5-(3-bromophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 7354772
3-(3-bromophenyl)-5-(furan-2-yl)-1,2,4-oxadiazole
CID 2989048
3-(3-bromophenyl)-5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazole
CID 8895295
5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine
CID 43150811
N-methyl-5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxamide
CID 102790600
4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 62787081
5-(3-bromophenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 5191480

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine?
The IUPAC name of 4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine (CID 79392299) is 4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine.
What is the SMILES notation for 4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine?
The canonical SMILES for 4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine is CNc1snc(C)c1-c1nc(-c2cccc(Br)c2)no1.
What is the InChIKey of 4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine?
The InChIKey is STSKKDBBYSXGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4OS/c1-7-10(13(15-2)20-18-7)12-16-11(17-19-12)8-4-3-5-9(14)6-8/h3-6,15H,1-2H3.
What are the key properties of 4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine?
4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine has a molecular weight of 351.23 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine is sourced from PubChem (CID 79392299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).