3-(2-bromo-4-methylphenyl)-N-tert-butyl-1,2,4-thiadiazol-5-amine

C13H16BrN3S — CID 114015527

IUPAC3-(2-bromo-4-methylphenyl)-N-tert-butyl-1,2,4-thiadiazol-5-amine
SMILESCc1ccc(-c2nsc(NC(C)(C)C)n2)c(Br)c1
InChIInChI=1S/C13H16BrN3S/c1-8-5-6-9(10(14)7-8)11-15-12(18-17-11)16-13(2,3)4/h5-7H,1-4H3,(H,15,16,17)
InChIKeyBUCFGWDGPYIMTB-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.49
Rot. Bonds2

About 3-(2-bromo-4-methylphenyl)-N-tert-butyl-1,2,4-thiadiazol-5-amine

3-(2-bromo-4-methylphenyl)-N-tert-butyl-1,2,4-thiadiazol-5-amine (PubChem CID 114015527) has the molecular formula C13H16BrN3S and a molecular weight of 326.26 g/mol. Its IUPAC name is 3-(2-bromo-4-methylphenyl)-N-tert-butyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2-bromo-4-methylphenyl)-N-tert-butyl-1,2,4-thiadiazol-5-amine
PubChem CID114015527
Molecular FormulaC13H16BrN3S
Molecular Weight326.26 g/mol
Exact Mass325.02
IUPAC Name3-(2-bromo-4-methylphenyl)-N-tert-butyl-1,2,4-thiadiazol-5-amine
SMILESCc1ccc(-c2nsc(NC(C)(C)C)n2)c(Br)c1
InChIInChI=1S/C13H16BrN3S/c1-8-5-6-9(10(14)7-8)11-15-12(18-17-11)16-13(2,3)4/h5-7H,1-4H3,(H,15,16,17)
InChIKeyBUCFGWDGPYIMTB-UHFFFAOYSA-N
XLogP4.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-bromo-4-methylphenyl)-N-tert-butyl-1,2,4-thiadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-bromophenyl)-N-tert-butyl-1,2,4-thiadiazol-5-amine
CID 65269243
N-tert-butyl-3-(3,5-difluorophenyl)-1,2,4-thiadiazol-5-amine
CID 65268612
3-(2-bromophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine
CID 65268631
N-tert-butyl-3-(3,5-dimethoxyphenyl)-1,2,4-thiadiazol-5-amine
CID 103400001
N-tert-butyl-3-(4-propan-2-ylphenyl)-1,2,4-thiadiazol-5-amine
CID 65268785
3-(2-bromo-4-methylphenyl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 107915493
3-(2-bromo-5-fluorophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine
CID 107924739
1-[2-(2-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]-N-methylmethanamine
CID 114015474
3-(2-bromo-3,4-difluorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 107541096
N-[[2-(2-bromo-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 107915402
N-[[2-(2-bromo-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 107915637
N-[[2-(2-bromo-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 107915641

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-methylphenyl)-N-tert-butyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2-bromo-4-methylphenyl)-N-tert-butyl-1,2,4-thiadiazol-5-amine (CID 114015527) is 3-(2-bromo-4-methylphenyl)-N-tert-butyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2-bromo-4-methylphenyl)-N-tert-butyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2-bromo-4-methylphenyl)-N-tert-butyl-1,2,4-thiadiazol-5-amine is Cc1ccc(-c2nsc(NC(C)(C)C)n2)c(Br)c1.
What is the InChIKey of 3-(2-bromo-4-methylphenyl)-N-tert-butyl-1,2,4-thiadiazol-5-amine?
The InChIKey is BUCFGWDGPYIMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3S/c1-8-5-6-9(10(14)7-8)11-15-12(18-17-11)16-13(2,3)4/h5-7H,1-4H3,(H,15,16,17).
What are the key properties of 3-(2-bromo-4-methylphenyl)-N-tert-butyl-1,2,4-thiadiazol-5-amine?
3-(2-bromo-4-methylphenyl)-N-tert-butyl-1,2,4-thiadiazol-5-amine has a molecular weight of 326.26 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-methylphenyl)-N-tert-butyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 114015527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).