5-bromo-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazole

C7H5BrN2S2 — CID 102617959

IUPAC5-bromo-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazole
SMILESBrc1nc(Cc2cccs2)ns1
InChIInChI=1S/C7H5BrN2S2/c8-7-9-6(10-12-7)4-5-2-1-3-11-5/h1-3H,4H2
InChIKeyIVIIMFBRMVMOTJ-UHFFFAOYSA-N
MW261.17 g/mol
LogP2.95
Rot. Bonds2

About 5-bromo-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazole

5-bromo-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazole (PubChem CID 102617959) has the molecular formula C7H5BrN2S2 and a molecular weight of 261.17 g/mol. Its IUPAC name is 5-bromo-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazole
PubChem CID102617959
Molecular FormulaC7H5BrN2S2
Molecular Weight261.17 g/mol
Exact Mass259.91
IUPAC Name5-bromo-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazole
SMILESBrc1nc(Cc2cccs2)ns1
InChIInChI=1S/C7H5BrN2S2/c8-7-9-6(10-12-7)4-5-2-1-3-11-5/h1-3H,4H2
InChIKeyIVIIMFBRMVMOTJ-UHFFFAOYSA-N
XLogP2.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.17
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65267650
5-bromo-4-chloro-6-methyl-2-(thiophen-2-ylmethyl)pyrimidine
CID 66294351
5-phenyl-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 162656743
5-bromo-N-ethyl-6-methyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66306673
5-(2-bromophenyl)-4,6-dichloro-2-(thiophen-2-ylmethyl)pyrimidine
CID 79435670
5-bromo-6-methyl-N-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66304693
[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660341
4-chloro-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine
CID 83241447
5-bromo-N-methyl-6-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66305557
1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride
CID 119947992
4-methyl-2-(thiophen-2-ylmethyl)pyrimidin-5-amine
CID 130483640
2-(bromomethyl)thiophene
CID 11829978

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazole (CID 102617959) is 5-bromo-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazole is Brc1nc(Cc2cccs2)ns1.
What is the InChIKey of 5-bromo-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazole?
The InChIKey is IVIIMFBRMVMOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2S2/c8-7-9-6(10-12-7)4-5-2-1-3-11-5/h1-3H,4H2.
What are the key properties of 5-bromo-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazole?
5-bromo-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazole has a molecular weight of 261.17 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102617959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).