3-(4-bromo-5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-amine

C7H6BrN3S2 — CID 102842233

IUPAC3-(4-bromo-5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCc1sc(-c2nsc(N)n2)cc1Br
InChIInChI=1S/C7H6BrN3S2/c1-3-4(8)2-5(12-3)6-10-7(9)13-11-6/h2H,1H3,(H2,9,10,11)
InChIKeyMISPMPSXINILGK-UHFFFAOYSA-N
MW276.18 g/mol
LogP2.92
Rot. Bonds1

About 3-(4-bromo-5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-amine

3-(4-bromo-5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 102842233) has the molecular formula C7H6BrN3S2 and a molecular weight of 276.18 g/mol. Its IUPAC name is 3-(4-bromo-5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(4-bromo-5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID102842233
Molecular FormulaC7H6BrN3S2
Molecular Weight276.18 g/mol
Exact Mass274.92
IUPAC Name3-(4-bromo-5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCc1sc(-c2nsc(N)n2)cc1Br
InChIInChI=1S/C7H6BrN3S2/c1-3-4(8)2-5(12-3)6-10-7(9)13-11-6/h2H,1H3,(H2,9,10,11)
InChIKeyMISPMPSXINILGK-UHFFFAOYSA-N
XLogP2.92
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxy-1,2-thiazol-5-yl)-1,2,4-thiadiazol-5-amine
CID 131059171
3-(4-bromo-2-methylphenyl)-1,2,4-thiadiazol-5-amine
CID 103083523
[2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 102844248
2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 102843917
3-bromo-2-methyl-5-(4-methylphenyl)thiophene
CID 101058493
6-bromo-2-(4-bromo-5-methylthiophen-2-yl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 102844427
3-(4-bromo-5-methylthiophen-2-yl)-5-cyclobutyl-1,2,4-oxadiazole
CID 165486283
2-(4-bromo-5-methylthiophen-2-yl)-4-chloro-5-methyl-6-phenylpyrimidine
CID 102842775
2-(4-bromo-5-methylthiophen-2-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 102843853
2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine
CID 102843919
4-(4-bromo-5-methylthiophen-2-yl)thiadiazole
CID 169490498
3-bromo-5-(3,5-difluorophenyl)-2-methylthiophene
CID 71445661

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(4-bromo-5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-amine (CID 102842233) is 3-(4-bromo-5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(4-bromo-5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(4-bromo-5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-amine is Cc1sc(-c2nsc(N)n2)cc1Br.
What is the InChIKey of 3-(4-bromo-5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is MISPMPSXINILGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3S2/c1-3-4(8)2-5(12-3)6-10-7(9)13-11-6/h2H,1H3,(H2,9,10,11).
What are the key properties of 3-(4-bromo-5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-amine?
3-(4-bromo-5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 276.18 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 102842233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).