N-[(5R)-3-(5-bromo-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]acetamide

C11H15BrN4OS — CID 153404837

IUPACN-[(5R)-3-(5-bromo-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]acetamide
SMILESCC(=O)NC1C2CC[C@@H]1CN(c1nnc(Br)s1)C2
InChIInChI=1S/C11H15BrN4OS/c1-6(17)13-9-7-2-3-8(9)5-16(4-7)11-15-14-10(12)18-11/h7-9H,2-5H2,1H3,(H,13,17)/t7-,8?,9?/m1/s1
InChIKeyXWIKKKRAYDLWPC-AFPNSQJFSA-N
MW331.24 g/mol
LogP1.65
Rot. Bonds2

About N-[(5R)-3-(5-bromo-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]acetamide

N-[(5R)-3-(5-bromo-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]acetamide (PubChem CID 153404837) has the molecular formula C11H15BrN4OS and a molecular weight of 331.24 g/mol. Its IUPAC name is N-[(5R)-3-(5-bromo-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]acetamide.

Molecular Properties

Compound NameN-[(5R)-3-(5-bromo-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]acetamide
PubChem CID153404837
Molecular FormulaC11H15BrN4OS
Molecular Weight331.24 g/mol
Exact Mass330.01
IUPAC NameN-[(5R)-3-(5-bromo-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]acetamide
SMILESCC(=O)NC1C2CC[C@@H]1CN(c1nnc(Br)s1)C2
InChIInChI=1S/C11H15BrN4OS/c1-6(17)13-9-7-2-3-8(9)5-16(4-7)11-15-14-10(12)18-11/h7-9H,2-5H2,1H3,(H,13,17)/t7-,8?,9?/m1/s1
InChIKeyXWIKKKRAYDLWPC-AFPNSQJFSA-N
XLogP1.65
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5R)-3-(5-bromo-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]acetamide?
The IUPAC name of N-[(5R)-3-(5-bromo-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]acetamide (CID 153404837) is N-[(5R)-3-(5-bromo-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]acetamide.
What is the SMILES notation for N-[(5R)-3-(5-bromo-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]acetamide?
The canonical SMILES for N-[(5R)-3-(5-bromo-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]acetamide is CC(=O)NC1C2CC[C@@H]1CN(c1nnc(Br)s1)C2.
What is the InChIKey of N-[(5R)-3-(5-bromo-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]acetamide?
The InChIKey is XWIKKKRAYDLWPC-AFPNSQJFSA-N. The full InChI is InChI=1S/C11H15BrN4OS/c1-6(17)13-9-7-2-3-8(9)5-16(4-7)11-15-14-10(12)18-11/h7-9H,2-5H2,1H3,(H,13,17)/t7-,8?,9?/m1/s1.
What are the key properties of N-[(5R)-3-(5-bromo-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]acetamide?
N-[(5R)-3-(5-bromo-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]acetamide has a molecular weight of 331.24 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-3-(5-bromo-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]acetamide is sourced from PubChem (CID 153404837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).