2-bromo-5-piperidin-1-yl-1,3,4-thiadiazole

C7H10BrN3S — CID 64625288

IUPAC2-bromo-5-piperidin-1-yl-1,3,4-thiadiazole
SMILESBrc1nnc(N2CCCCC2)s1
InChIInChI=1S/C7H10BrN3S/c8-6-9-10-7(12-6)11-4-2-1-3-5-11/h1-5H2
InChIKeyLRFWHDNXGNEGIW-UHFFFAOYSA-N
MW248.15 g/mol
LogP2.29
Rot. Bonds1

About 2-bromo-5-piperidin-1-yl-1,3,4-thiadiazole

2-bromo-5-piperidin-1-yl-1,3,4-thiadiazole (PubChem CID 64625288) has the molecular formula C7H10BrN3S and a molecular weight of 248.15 g/mol. Its IUPAC name is 2-bromo-5-piperidin-1-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-piperidin-1-yl-1,3,4-thiadiazole
PubChem CID64625288
Molecular FormulaC7H10BrN3S
Molecular Weight248.15 g/mol
Exact Mass246.98
IUPAC Name2-bromo-5-piperidin-1-yl-1,3,4-thiadiazole
SMILESBrc1nnc(N2CCCCC2)s1
InChIInChI=1S/C7H10BrN3S/c8-6-9-10-7(12-6)11-4-2-1-3-5-11/h1-5H2
InChIKeyLRFWHDNXGNEGIW-UHFFFAOYSA-N
XLogP2.29
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-piperidin-1-yl-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-piperidin-1-yl-1,3,4-thiadiazole (CID 64625288) is 2-bromo-5-piperidin-1-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-piperidin-1-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-piperidin-1-yl-1,3,4-thiadiazole is Brc1nnc(N2CCCCC2)s1.
What is the InChIKey of 2-bromo-5-piperidin-1-yl-1,3,4-thiadiazole?
The InChIKey is LRFWHDNXGNEGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3S/c8-6-9-10-7(12-6)11-4-2-1-3-5-11/h1-5H2.
What are the key properties of 2-bromo-5-piperidin-1-yl-1,3,4-thiadiazole?
2-bromo-5-piperidin-1-yl-1,3,4-thiadiazole has a molecular weight of 248.15 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-piperidin-1-yl-1,3,4-thiadiazole is sourced from PubChem (CID 64625288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).