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

C12H9BrN4OS — CID 103083212

IUPAC4-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
SMILESCc1cc(Br)ccc1-c1noc(-c2csc(N)n2)n1
InChIInChI=1S/C12H9BrN4OS/c1-6-4-7(13)2-3-8(6)10-16-11(18-17-10)9-5-19-12(14)15-9/h2-5H,1H3,(H2,14,15)
InChIKeyRDVHHMNSRGDIBS-UHFFFAOYSA-N
MW337.20 g/mol
LogP3.51
Rot. Bonds2

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

4-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine (PubChem CID 103083212) has the molecular formula C12H9BrN4OS and a molecular weight of 337.20 g/mol. Its IUPAC name is 4-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
PubChem CID103083212
Molecular FormulaC12H9BrN4OS
Molecular Weight337.20 g/mol
Exact Mass335.97
IUPAC Name4-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
SMILESCc1cc(Br)ccc1-c1noc(-c2csc(N)n2)n1
InChIInChI=1S/C12H9BrN4OS/c1-6-4-7(13)2-3-8(6)10-16-11(18-17-10)9-5-19-12(14)15-9/h2-5H,1H3,(H2,14,15)
InChIKeyRDVHHMNSRGDIBS-UHFFFAOYSA-N
XLogP3.51
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 81273589
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 62786736
4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 62787081
4-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 107795645
4-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-chloroaniline
CID 103083253
5-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 103083299
(1S)-1-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 103084135
4-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 103083651
3-(4-bromo-2-methylphenyl)-1,2,4-thiadiazol-5-amine
CID 103083523
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 62787593
2-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 103084077
5-(4-bromo-2-methylphenyl)-3-chloro-1,2,4-oxadiazole
CID 112571812

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine (CID 103083212) is 4-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine is Cc1cc(Br)ccc1-c1noc(-c2csc(N)n2)n1.
What is the InChIKey of 4-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
The InChIKey is RDVHHMNSRGDIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4OS/c1-6-4-7(13)2-3-8(6)10-16-11(18-17-10)9-5-19-12(14)15-9/h2-5H,1H3,(H2,14,15).
What are the key properties of 4-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
4-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine has a molecular weight of 337.20 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 103083212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).