N-[7-(5-bromo-1,3,4-thiadiazol-2-yl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-yl]acetamide

C11H15BrN4O2S — CID 146382415

IUPACN-[7-(5-bromo-1,3,4-thiadiazol-2-yl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-yl]acetamide
SMILESCC(=O)NC1C2COCC1CN(c1nnc(Br)s1)C2
InChIInChI=1S/C11H15BrN4O2S/c1-6(17)13-9-7-2-16(3-8(9)5-18-4-7)11-15-14-10(12)19-11/h7-9H,2-5H2,1H3,(H,13,17)
InChIKeyGZRQAVHJNHMQCO-UHFFFAOYSA-N
MW347.24 g/mol
LogP0.89
Rot. Bonds2

About N-[7-(5-bromo-1,3,4-thiadiazol-2-yl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-yl]acetamide

N-[7-(5-bromo-1,3,4-thiadiazol-2-yl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-yl]acetamide (PubChem CID 146382415) has the molecular formula C11H15BrN4O2S and a molecular weight of 347.24 g/mol. Its IUPAC name is N-[7-(5-bromo-1,3,4-thiadiazol-2-yl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-yl]acetamide.

Molecular Properties

Compound NameN-[7-(5-bromo-1,3,4-thiadiazol-2-yl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-yl]acetamide
PubChem CID146382415
Molecular FormulaC11H15BrN4O2S
Molecular Weight347.24 g/mol
Exact Mass346.01
IUPAC NameN-[7-(5-bromo-1,3,4-thiadiazol-2-yl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-yl]acetamide
SMILESCC(=O)NC1C2COCC1CN(c1nnc(Br)s1)C2
InChIInChI=1S/C11H15BrN4O2S/c1-6(17)13-9-7-2-16(3-8(9)5-18-4-7)11-15-14-10(12)19-11/h7-9H,2-5H2,1H3,(H,13,17)
InChIKeyGZRQAVHJNHMQCO-UHFFFAOYSA-N
XLogP0.89
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-[(1R,4S,7R)-2-(5-bromo-1,3,4-thiadiazol-2-yl)-2-azabicyclo[2.2.1]heptan-7-yl]acetamide
CID 174089321
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)pyrrolidine-3,4-diol
CID 106670876
N-[(1S,5R)-7-[5-[6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-3-oxa-7-azabicyclo[3.3.1]nonan-9-yl]acetamide
CID 146441411
1-[3-(5-bromo-1,3,4-thiadiazol-2-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2-hydroxy-2-methylpropan-1-one
CID 146382449
1-[6-(5-bromo-1,3,4-thiadiazol-2-yl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanone
CID 153404905
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
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-[3-[5-[6-chloro-4-[[(1R)-1-cyanoethyl]amino]-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-3-azabicyclo[3.2.1]octan-8-yl]acetamide
CID 153459187
[1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl] carbamate
CID 170162412

Frequently Asked Questions

What is the IUPAC name of N-[7-(5-bromo-1,3,4-thiadiazol-2-yl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-yl]acetamide?
The IUPAC name of N-[7-(5-bromo-1,3,4-thiadiazol-2-yl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-yl]acetamide (CID 146382415) is N-[7-(5-bromo-1,3,4-thiadiazol-2-yl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-yl]acetamide.
What is the SMILES notation for N-[7-(5-bromo-1,3,4-thiadiazol-2-yl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-yl]acetamide?
The canonical SMILES for N-[7-(5-bromo-1,3,4-thiadiazol-2-yl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-yl]acetamide is CC(=O)NC1C2COCC1CN(c1nnc(Br)s1)C2.
What is the InChIKey of N-[7-(5-bromo-1,3,4-thiadiazol-2-yl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-yl]acetamide?
The InChIKey is GZRQAVHJNHMQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O2S/c1-6(17)13-9-7-2-16(3-8(9)5-18-4-7)11-15-14-10(12)19-11/h7-9H,2-5H2,1H3,(H,13,17).
What are the key properties of N-[7-(5-bromo-1,3,4-thiadiazol-2-yl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-yl]acetamide?
N-[7-(5-bromo-1,3,4-thiadiazol-2-yl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-yl]acetamide has a molecular weight of 347.24 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(5-bromo-1,3,4-thiadiazol-2-yl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-yl]acetamide is sourced from PubChem (CID 146382415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).