2-(4-bromopyrazol-1-yl)-5-methyl-1,3,4-thiadiazole

C6H5BrN4S — CID 65208447

IUPAC2-(4-bromopyrazol-1-yl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(-n2cc(Br)cn2)s1
InChIInChI=1S/C6H5BrN4S/c1-4-9-10-6(12-4)11-3-5(7)2-8-11/h2-3H,1H3
InChIKeyMXEPBCBFBFSVSG-UHFFFAOYSA-N
MW245.11 g/mol
LogP1.79
Rot. Bonds1

About 2-(4-bromopyrazol-1-yl)-5-methyl-1,3,4-thiadiazole

2-(4-bromopyrazol-1-yl)-5-methyl-1,3,4-thiadiazole (PubChem CID 65208447) has the molecular formula C6H5BrN4S and a molecular weight of 245.11 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-5-methyl-1,3,4-thiadiazole
PubChem CID65208447
Molecular FormulaC6H5BrN4S
Molecular Weight245.11 g/mol
Exact Mass243.94
IUPAC Name2-(4-bromopyrazol-1-yl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(-n2cc(Br)cn2)s1
InChIInChI=1S/C6H5BrN4S/c1-4-9-10-6(12-4)11-3-5(7)2-8-11/h2-3H,1H3
InChIKeyMXEPBCBFBFSVSG-UHFFFAOYSA-N
XLogP1.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.11
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-5-methyl-1,3,4-thiadiazole (CID 65208447) is 2-(4-bromopyrazol-1-yl)-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-5-methyl-1,3,4-thiadiazole is Cc1nnc(-n2cc(Br)cn2)s1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-5-methyl-1,3,4-thiadiazole?
The InChIKey is MXEPBCBFBFSVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN4S/c1-4-9-10-6(12-4)11-3-5(7)2-8-11/h2-3H,1H3.
What are the key properties of 2-(4-bromopyrazol-1-yl)-5-methyl-1,3,4-thiadiazole?
2-(4-bromopyrazol-1-yl)-5-methyl-1,3,4-thiadiazole has a molecular weight of 245.11 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 65208447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).