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

C7H5BrN2S2 — CID 79807419

IUPAC2-bromo-5-(4-methylthiophen-3-yl)-1,3,4-thiadiazole
SMILESCc1cscc1-c1nnc(Br)s1
InChIInChI=1S/C7H5BrN2S2/c1-4-2-11-3-5(4)6-9-10-7(8)12-6/h2-3H,1H3
InChIKeyIURNTIZIXSANDX-UHFFFAOYSA-N
MW261.17 g/mol
LogP3.34
Rot. Bonds1

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

2-bromo-5-(4-methylthiophen-3-yl)-1,3,4-thiadiazole (PubChem CID 79807419) has the molecular formula C7H5BrN2S2 and a molecular weight of 261.17 g/mol. Its IUPAC name is 2-bromo-5-(4-methylthiophen-3-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(4-methylthiophen-3-yl)-1,3,4-thiadiazole
PubChem CID79807419
Molecular FormulaC7H5BrN2S2
Molecular Weight261.17 g/mol
Exact Mass259.91
IUPAC Name2-bromo-5-(4-methylthiophen-3-yl)-1,3,4-thiadiazole
SMILESCc1cscc1-c1nnc(Br)s1
InChIInChI=1S/C7H5BrN2S2/c1-4-2-11-3-5(4)6-9-10-7(8)12-6/h2-3H,1H3
InChIKeyIURNTIZIXSANDX-UHFFFAOYSA-N
XLogP3.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.17
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4-methylthiophen-3-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(4-methylthiophen-3-yl)-1,3,4-thiadiazole (CID 79807419) is 2-bromo-5-(4-methylthiophen-3-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(4-methylthiophen-3-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(4-methylthiophen-3-yl)-1,3,4-thiadiazole is Cc1cscc1-c1nnc(Br)s1.
What is the InChIKey of 2-bromo-5-(4-methylthiophen-3-yl)-1,3,4-thiadiazole?
The InChIKey is IURNTIZIXSANDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2S2/c1-4-2-11-3-5(4)6-9-10-7(8)12-6/h2-3H,1H3.
What are the key properties of 2-bromo-5-(4-methylthiophen-3-yl)-1,3,4-thiadiazole?
2-bromo-5-(4-methylthiophen-3-yl)-1,3,4-thiadiazole has a molecular weight of 261.17 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4-methylthiophen-3-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 79807419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).