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

C7H10BrN3S — CID 83900275

IUPAC2-bromo-5-piperidin-4-yl-1,3,4-thiadiazole
SMILESBrc1nnc(C2CCNCC2)s1
InChIInChI=1S/C7H10BrN3S/c8-7-11-10-6(12-7)5-1-3-9-4-2-5/h5,9H,1-4H2
InChIKeyCEOFULUOGNZUAG-UHFFFAOYSA-N
MW248.15 g/mol
LogP1.77
Rot. Bonds1

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

2-bromo-5-piperidin-4-yl-1,3,4-thiadiazole (PubChem CID 83900275) has the molecular formula C7H10BrN3S and a molecular weight of 248.15 g/mol. Its IUPAC name is 2-bromo-5-piperidin-4-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-piperidin-4-yl-1,3,4-thiadiazole
PubChem CID83900275
Molecular FormulaC7H10BrN3S
Molecular Weight248.15 g/mol
Exact Mass246.98
IUPAC Name2-bromo-5-piperidin-4-yl-1,3,4-thiadiazole
SMILESBrc1nnc(C2CCNCC2)s1
InChIInChI=1S/C7H10BrN3S/c8-7-11-10-6(12-7)5-1-3-9-4-2-5/h5,9H,1-4H2
InChIKeyCEOFULUOGNZUAG-UHFFFAOYSA-N
XLogP1.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-piperidin-4-yl-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-piperidin-4-yl-1,3,4-thiadiazole (CID 83900275) is 2-bromo-5-piperidin-4-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-piperidin-4-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-piperidin-4-yl-1,3,4-thiadiazole is Brc1nnc(C2CCNCC2)s1.
What is the InChIKey of 2-bromo-5-piperidin-4-yl-1,3,4-thiadiazole?
The InChIKey is CEOFULUOGNZUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3S/c8-7-11-10-6(12-7)5-1-3-9-4-2-5/h5,9H,1-4H2.
What are the key properties of 2-bromo-5-piperidin-4-yl-1,3,4-thiadiazole?
2-bromo-5-piperidin-4-yl-1,3,4-thiadiazole has a molecular weight of 248.15 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-piperidin-4-yl-1,3,4-thiadiazole is sourced from PubChem (CID 83900275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).