N-[(1R,4S,7R)-2-(5-bromo-1,3,4-thiadiazol-2-yl)-2-azabicyclo[2.2.1]heptan-7-yl]acetamide

C10H13BrN4OS — CID 174089321

IUPACN-[(1R,4S,7R)-2-(5-bromo-1,3,4-thiadiazol-2-yl)-2-azabicyclo[2.2.1]heptan-7-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@H]2CC[C@H]1N(c1nnc(Br)s1)C2
InChIInChI=1S/C10H13BrN4OS/c1-5(16)12-8-6-2-3-7(8)15(4-6)10-14-13-9(11)17-10/h6-8H,2-4H2,1H3,(H,12,16)/t6-,7+,8+/m0/s1
InChIKeyUAIQRVNHOWXXCF-XLPZGREQSA-N
MW317.21 g/mol
LogP1.40
Rot. Bonds2

About N-[(1R,4S,7R)-2-(5-bromo-1,3,4-thiadiazol-2-yl)-2-azabicyclo[2.2.1]heptan-7-yl]acetamide

N-[(1R,4S,7R)-2-(5-bromo-1,3,4-thiadiazol-2-yl)-2-azabicyclo[2.2.1]heptan-7-yl]acetamide (PubChem CID 174089321) has the molecular formula C10H13BrN4OS and a molecular weight of 317.21 g/mol. Its IUPAC name is N-[(1R,4S,7R)-2-(5-bromo-1,3,4-thiadiazol-2-yl)-2-azabicyclo[2.2.1]heptan-7-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,4S,7R)-2-(5-bromo-1,3,4-thiadiazol-2-yl)-2-azabicyclo[2.2.1]heptan-7-yl]acetamide
PubChem CID174089321
Molecular FormulaC10H13BrN4OS
Molecular Weight317.21 g/mol
Exact Mass316.00
IUPAC NameN-[(1R,4S,7R)-2-(5-bromo-1,3,4-thiadiazol-2-yl)-2-azabicyclo[2.2.1]heptan-7-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@H]2CC[C@H]1N(c1nnc(Br)s1)C2
InChIInChI=1S/C10H13BrN4OS/c1-5(16)12-8-6-2-3-7(8)15(4-6)10-14-13-9(11)17-10/h6-8H,2-4H2,1H3,(H,12,16)/t6-,7+,8+/m0/s1
InChIKeyUAIQRVNHOWXXCF-XLPZGREQSA-N
XLogP1.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R,4S,7R)-2-(5-bromo-1,3,4-thiadiazol-2-yl)-2-azabicyclo[2.2.1]heptan-7-yl]acetamide with MolForge

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Related Compounds

N-[(5R)-3-(5-bromo-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]acetamide
CID 153404837
N-[7-(5-bromo-1,3,4-thiadiazol-2-yl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-yl]acetamide
CID 146382415
N-[1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetamide;ethane
CID 153404964
1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpyrrolidine-2-carboxamide
CID 64623898
1-[6-(5-bromo-1,3,4-thiadiazol-2-yl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanone
CID 153404905
[1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102784107
methyl 1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
CID 146382334
1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-4-carboxamide;sulfane
CID 153404952
1-(5-bromo-1,3,4-thiadiazol-2-yl)pyrrolidine-3,4-diol
CID 106670876
2-[[5-[5-[(1S,5R)-8-acetamido-3-azabicyclo[3.2.1]octan-3-yl]-1,3,4-thiadiazol-2-yl]-2-chloro-4-pyridinyl]amino]propanamide
CID 156514361
N-[2-[[(5-bromo-1,3,4-thiadiazol-2-yl)-ethylamino]methyl]-6-methylcyclohexyl]acetamide
CID 170024898
8-(5-bromo-1,3,4-thiadiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 64623292

Frequently Asked Questions

What is the IUPAC name of N-[(1R,4S,7R)-2-(5-bromo-1,3,4-thiadiazol-2-yl)-2-azabicyclo[2.2.1]heptan-7-yl]acetamide?
The IUPAC name of N-[(1R,4S,7R)-2-(5-bromo-1,3,4-thiadiazol-2-yl)-2-azabicyclo[2.2.1]heptan-7-yl]acetamide (CID 174089321) is N-[(1R,4S,7R)-2-(5-bromo-1,3,4-thiadiazol-2-yl)-2-azabicyclo[2.2.1]heptan-7-yl]acetamide.
What is the SMILES notation for N-[(1R,4S,7R)-2-(5-bromo-1,3,4-thiadiazol-2-yl)-2-azabicyclo[2.2.1]heptan-7-yl]acetamide?
The canonical SMILES for N-[(1R,4S,7R)-2-(5-bromo-1,3,4-thiadiazol-2-yl)-2-azabicyclo[2.2.1]heptan-7-yl]acetamide is CC(=O)N[C@@H]1[C@H]2CC[C@H]1N(c1nnc(Br)s1)C2.
What is the InChIKey of N-[(1R,4S,7R)-2-(5-bromo-1,3,4-thiadiazol-2-yl)-2-azabicyclo[2.2.1]heptan-7-yl]acetamide?
The InChIKey is UAIQRVNHOWXXCF-XLPZGREQSA-N. The full InChI is InChI=1S/C10H13BrN4OS/c1-5(16)12-8-6-2-3-7(8)15(4-6)10-14-13-9(11)17-10/h6-8H,2-4H2,1H3,(H,12,16)/t6-,7+,8+/m0/s1.
What are the key properties of N-[(1R,4S,7R)-2-(5-bromo-1,3,4-thiadiazol-2-yl)-2-azabicyclo[2.2.1]heptan-7-yl]acetamide?
N-[(1R,4S,7R)-2-(5-bromo-1,3,4-thiadiazol-2-yl)-2-azabicyclo[2.2.1]heptan-7-yl]acetamide has a molecular weight of 317.21 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,4S,7R)-2-(5-bromo-1,3,4-thiadiazol-2-yl)-2-azabicyclo[2.2.1]heptan-7-yl]acetamide is sourced from PubChem (CID 174089321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).