4-(3-bromo-1,2,4-thiadiazol-5-yl)-N,N-dimethylaniline

C10H10BrN3S — CID 102943222

IUPAC4-(3-bromo-1,2,4-thiadiazol-5-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc(Br)ns2)cc1
InChIInChI=1S/C10H10BrN3S/c1-14(2)8-5-3-7(4-6-8)9-12-10(11)13-15-9/h3-6H,1-2H3
InChIKeyCSVYLQJCKMAPBG-UHFFFAOYSA-N
MW284.18 g/mol
LogP3.03
Rot. Bonds2

About 4-(3-bromo-1,2,4-thiadiazol-5-yl)-N,N-dimethylaniline

4-(3-bromo-1,2,4-thiadiazol-5-yl)-N,N-dimethylaniline (PubChem CID 102943222) has the molecular formula C10H10BrN3S and a molecular weight of 284.18 g/mol. Its IUPAC name is 4-(3-bromo-1,2,4-thiadiazol-5-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(3-bromo-1,2,4-thiadiazol-5-yl)-N,N-dimethylaniline
PubChem CID102943222
Molecular FormulaC10H10BrN3S
Molecular Weight284.18 g/mol
Exact Mass282.98
IUPAC Name4-(3-bromo-1,2,4-thiadiazol-5-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc(Br)ns2)cc1
InChIInChI=1S/C10H10BrN3S/c1-14(2)8-5-3-7(4-6-8)9-12-10(11)13-15-9/h3-6H,1-2H3
InChIKeyCSVYLQJCKMAPBG-UHFFFAOYSA-N
XLogP3.03
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-(3-chloro-5-methylphenyl)-1,2,4-thiadiazole
CID 102943208
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137
[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]methanethiol
CID 82131509
2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19965147
1-[2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 9173873
4-[6-(aminomethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N-dimethylaniline
CID 96670698
4-(5-chloro-1,3-benzothiazol-2-yl)-N,N-dimethylaniline
CID 58828192
4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine
CID 18526481
4,6-bis[4-(dimethylamino)phenyl]-1,3,5-triazin-2-amine
CID 54222591
4-[5-[4-(dimethylamino)phenyl]pyrazin-2-yl]-N,N-dimethylaniline
CID 102012408
4-tert-butyl-2-[4-(dimethylamino)phenyl]-1,3-thiazole-5-carboxylic acid
CID 114360581
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;methylsulfinylmethane
CID 157316165

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-1,2,4-thiadiazol-5-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(3-bromo-1,2,4-thiadiazol-5-yl)-N,N-dimethylaniline (CID 102943222) is 4-(3-bromo-1,2,4-thiadiazol-5-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(3-bromo-1,2,4-thiadiazol-5-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(3-bromo-1,2,4-thiadiazol-5-yl)-N,N-dimethylaniline is CN(C)c1ccc(-c2nc(Br)ns2)cc1.
What is the InChIKey of 4-(3-bromo-1,2,4-thiadiazol-5-yl)-N,N-dimethylaniline?
The InChIKey is CSVYLQJCKMAPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3S/c1-14(2)8-5-3-7(4-6-8)9-12-10(11)13-15-9/h3-6H,1-2H3.
What are the key properties of 4-(3-bromo-1,2,4-thiadiazol-5-yl)-N,N-dimethylaniline?
4-(3-bromo-1,2,4-thiadiazol-5-yl)-N,N-dimethylaniline has a molecular weight of 284.18 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-1,2,4-thiadiazol-5-yl)-N,N-dimethylaniline is sourced from PubChem (CID 102943222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).