(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(thiadiazol-5-yl)methanone

C10H14N4OS — CID 61234776

IUPAC(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(thiadiazol-5-yl)methanone
SMILESNC1CC2CCC(C1)N2C(=O)c1cnns1
InChIInChI=1S/C10H14N4OS/c11-6-3-7-1-2-8(4-6)14(7)10(15)9-5-12-13-16-9/h5-8H,1-4,11H2
InChIKeyZXDGLROYBIQXHH-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.63
Rot. Bonds1

About (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(thiadiazol-5-yl)methanone

(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(thiadiazol-5-yl)methanone (PubChem CID 61234776) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(thiadiazol-5-yl)methanone
PubChem CID61234776
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(thiadiazol-5-yl)methanone
SMILESNC1CC2CCC(C1)N2C(=O)c1cnns1
InChIInChI=1S/C10H14N4OS/c11-6-3-7-1-2-8(4-6)14(7)10(15)9-5-12-13-16-9/h5-8H,1-4,11H2
InChIKeyZXDGLROYBIQXHH-UHFFFAOYSA-N
XLogP0.63
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(thiadiazol-5-yl)methanone?
The IUPAC name of (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(thiadiazol-5-yl)methanone (CID 61234776) is (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(thiadiazol-5-yl)methanone.
What is the SMILES notation for (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(thiadiazol-5-yl)methanone?
The canonical SMILES for (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(thiadiazol-5-yl)methanone is NC1CC2CCC(C1)N2C(=O)c1cnns1.
What is the InChIKey of (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(thiadiazol-5-yl)methanone?
The InChIKey is ZXDGLROYBIQXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c11-6-3-7-1-2-8(4-6)14(7)10(15)9-5-12-13-16-9/h5-8H,1-4,11H2.
What are the key properties of (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(thiadiazol-5-yl)methanone?
(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(thiadiazol-5-yl)methanone has a molecular weight of 238.32 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(thiadiazol-5-yl)methanone is sourced from PubChem (CID 61234776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).