2-bromo-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole

C12H19BrN4S — CID 58430437

IUPAC2-bromo-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESBrc1nnc(N2CCC(N3CCCCC3)CC2)s1
InChIInChI=1S/C12H19BrN4S/c13-11-14-15-12(18-11)17-8-4-10(5-9-17)16-6-2-1-3-7-16/h10H,1-9H2
InChIKeyRZUFNIIYSSGLNA-UHFFFAOYSA-N
MW331.28 g/mol
LogP2.76
Rot. Bonds2

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

2-bromo-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole (PubChem CID 58430437) has the molecular formula C12H19BrN4S and a molecular weight of 331.28 g/mol. Its IUPAC name is 2-bromo-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
PubChem CID58430437
Molecular FormulaC12H19BrN4S
Molecular Weight331.28 g/mol
Exact Mass330.05
IUPAC Name2-bromo-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESBrc1nnc(N2CCC(N3CCCCC3)CC2)s1
InChIInChI=1S/C12H19BrN4S/c13-11-14-15-12(18-11)17-8-4-10(5-9-17)16-6-2-1-3-7-16/h10H,1-9H2
InChIKeyRZUFNIIYSSGLNA-UHFFFAOYSA-N
XLogP2.76
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 58430606
CID 58430606
CID 58553172
CID 58553172
CID 67053287
CID 67053287
CID 89972474
CID 89972474
CID 64622644
CID 64622644
CID 64622860
CID 64622860
CID 64623703
CID 64623703
CID 64623883
CID 64623883
CID 64623913
CID 64623913

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole (CID 58430437) is 2-bromo-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole is Brc1nnc(N2CCC(N3CCCCC3)CC2)s1.
What is the InChIKey of 2-bromo-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The InChIKey is RZUFNIIYSSGLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4S/c13-11-14-15-12(18-11)17-8-4-10(5-9-17)16-6-2-1-3-7-16/h10H,1-9H2.
What are the key properties of 2-bromo-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
2-bromo-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole has a molecular weight of 331.28 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 58430437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).