2-bromo-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole

C8H7BrN4S2 — CID 64622253

IUPAC2-bromo-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole
SMILESCc1cc(C)nc(Sc2nnc(Br)s2)n1
InChIInChI=1S/C8H7BrN4S2/c1-4-3-5(2)11-7(10-4)15-8-13-12-6(9)14-8/h3H,1-2H3
InChIKeyUMAGFHVLQHPHPN-UHFFFAOYSA-N
MW303.21 g/mol
LogP2.86
Rot. Bonds2

About 2-bromo-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole

2-bromo-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole (PubChem CID 64622253) has the molecular formula C8H7BrN4S2 and a molecular weight of 303.21 g/mol. Its IUPAC name is 2-bromo-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole
PubChem CID64622253
Molecular FormulaC8H7BrN4S2
Molecular Weight303.21 g/mol
Exact Mass301.93
IUPAC Name2-bromo-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole
SMILESCc1cc(C)nc(Sc2nnc(Br)s2)n1
InChIInChI=1S/C8H7BrN4S2/c1-4-3-5(2)11-7(10-4)15-8-13-12-6(9)14-8/h3H,1-2H3
InChIKeyUMAGFHVLQHPHPN-UHFFFAOYSA-N
XLogP2.86
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.21
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole (CID 64622253) is 2-bromo-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole is Cc1cc(C)nc(Sc2nnc(Br)s2)n1.
What is the InChIKey of 2-bromo-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole?
The InChIKey is UMAGFHVLQHPHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4S2/c1-4-3-5(2)11-7(10-4)15-8-13-12-6(9)14-8/h3H,1-2H3.
What are the key properties of 2-bromo-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole?
2-bromo-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole has a molecular weight of 303.21 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole is sourced from PubChem (CID 64622253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).