[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamic acid

C11H16N4O2S — CID 129216793

IUPAC[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamic acid
SMILESCc1nsc(N2CC3CCC(C2)C3NC(=O)O)n1
InChIInChI=1S/C11H16N4O2S/c1-6-12-10(18-14-6)15-4-7-2-3-8(5-15)9(7)13-11(16)17/h7-9,13H,2-5H2,1H3,(H,16,17)
InChIKeyHLXSPTVOIILRMC-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.33
Rot. Bonds2

About [3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamic acid

[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamic acid (PubChem CID 129216793) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is [3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamic acid.

Molecular Properties

Compound Name[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamic acid
PubChem CID129216793
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamic acid
SMILESCc1nsc(N2CC3CCC(C2)C3NC(=O)O)n1
InChIInChI=1S/C11H16N4O2S/c1-6-12-10(18-14-6)15-4-7-2-3-8(5-15)9(7)13-11(16)17/h7-9,13H,2-5H2,1H3,(H,16,17)
InChIKeyHLXSPTVOIILRMC-UHFFFAOYSA-N
XLogP1.33
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamic acid?
The IUPAC name of [3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamic acid (CID 129216793) is [3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamic acid.
What is the SMILES notation for [3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamic acid?
The canonical SMILES for [3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamic acid is Cc1nsc(N2CC3CCC(C2)C3NC(=O)O)n1.
What is the InChIKey of [3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamic acid?
The InChIKey is HLXSPTVOIILRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-6-12-10(18-14-6)15-4-7-2-3-8(5-15)9(7)13-11(16)17/h7-9,13H,2-5H2,1H3,(H,16,17).
What are the key properties of [3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamic acid?
[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamic acid has a molecular weight of 268.34 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamic acid is sourced from PubChem (CID 129216793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).