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

C7H5BrN4S2 — CID 64625341

IUPAC2-bromo-5-(5-methylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole
SMILESCc1cnc(Sc2nnc(Br)s2)nc1
InChIInChI=1S/C7H5BrN4S2/c1-4-2-9-6(10-3-4)14-7-12-11-5(8)13-7/h2-3H,1H3
InChIKeyVLLQYGBIXYXWAU-UHFFFAOYSA-N
MW289.18 g/mol
LogP2.55
Rot. Bonds2

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

2-bromo-5-(5-methylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole (PubChem CID 64625341) has the molecular formula C7H5BrN4S2 and a molecular weight of 289.18 g/mol. Its IUPAC name is 2-bromo-5-(5-methylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(5-methylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole
PubChem CID64625341
Molecular FormulaC7H5BrN4S2
Molecular Weight289.18 g/mol
Exact Mass287.91
IUPAC Name2-bromo-5-(5-methylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole
SMILESCc1cnc(Sc2nnc(Br)s2)nc1
InChIInChI=1S/C7H5BrN4S2/c1-4-2-9-6(10-3-4)14-7-12-11-5(8)13-7/h2-3H,1H3
InChIKeyVLLQYGBIXYXWAU-UHFFFAOYSA-N
XLogP2.55
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(5-methylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(5-methylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole (CID 64625341) is 2-bromo-5-(5-methylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(5-methylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(5-methylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole is Cc1cnc(Sc2nnc(Br)s2)nc1.
What is the InChIKey of 2-bromo-5-(5-methylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole?
The InChIKey is VLLQYGBIXYXWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN4S2/c1-4-2-9-6(10-3-4)14-7-12-11-5(8)13-7/h2-3H,1H3.
What are the key properties of 2-bromo-5-(5-methylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole?
2-bromo-5-(5-methylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole has a molecular weight of 289.18 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(5-methylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole is sourced from PubChem (CID 64625341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).