[1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl] carbamate

C8H11BrN4O2S — CID 170162412

IUPAC[1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl] carbamate
SMILESNC(=O)OC1CCN(c2nnc(Br)s2)CC1
InChIInChI=1S/C8H11BrN4O2S/c9-6-11-12-8(16-6)13-3-1-5(2-4-13)15-7(10)14/h5H,1-4H2,(H2,10,14)
InChIKeySMPPJIYVKDYVQG-UHFFFAOYSA-N
MW307.17 g/mol
LogP1.36
Rot. Bonds2

About [1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl] carbamate

[1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl] carbamate (PubChem CID 170162412) has the molecular formula C8H11BrN4O2S and a molecular weight of 307.17 g/mol. Its IUPAC name is [1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl] carbamate.

Molecular Properties

Compound Name[1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl] carbamate
PubChem CID170162412
Molecular FormulaC8H11BrN4O2S
Molecular Weight307.17 g/mol
Exact Mass305.98
IUPAC Name[1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl] carbamate
SMILESNC(=O)OC1CCN(c2nnc(Br)s2)CC1
InChIInChI=1S/C8H11BrN4O2S/c9-6-11-12-8(16-6)13-3-1-5(2-4-13)15-7(10)14/h5H,1-4H2,(H2,10,14)
InChIKeySMPPJIYVKDYVQG-UHFFFAOYSA-N
XLogP1.36
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl] carbamate?
The IUPAC name of [1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl] carbamate (CID 170162412) is [1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl] carbamate.
What is the SMILES notation for [1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl] carbamate?
The canonical SMILES for [1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl] carbamate is NC(=O)OC1CCN(c2nnc(Br)s2)CC1.
What is the InChIKey of [1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl] carbamate?
The InChIKey is SMPPJIYVKDYVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN4O2S/c9-6-11-12-8(16-6)13-3-1-5(2-4-13)15-7(10)14/h5H,1-4H2,(H2,10,14).
What are the key properties of [1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl] carbamate?
[1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl] carbamate has a molecular weight of 307.17 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl] carbamate is sourced from PubChem (CID 170162412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).