[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone

C14H18N4OS — CID 50948496

IUPAC[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone
SMILESCc1nc2sccn2c1C(=O)N1[C@H]2CCNC[C@@H]1CC2
InChIInChI=1S/C14H18N4OS/c1-9-12(17-6-7-20-14(17)16-9)13(19)18-10-2-3-11(18)8-15-5-4-10/h6-7,10-11,15H,2-5,8H2,1H3/t10-,11+/m1/s1
InChIKeyJIAXUBFXZQPCJU-MNOVXSKESA-N
MW290.39 g/mol
LogP1.67
Rot. Bonds1

About [(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone

[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone (PubChem CID 50948496) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is [(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone
PubChem CID50948496
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone
SMILESCc1nc2sccn2c1C(=O)N1[C@H]2CCNC[C@@H]1CC2
InChIInChI=1S/C14H18N4OS/c1-9-12(17-6-7-20-14(17)16-9)13(19)18-10-2-3-11(18)8-15-5-4-10/h6-7,10-11,15H,2-5,8H2,1H3/t10-,11+/m1/s1
InChIKeyJIAXUBFXZQPCJU-MNOVXSKESA-N
XLogP1.67
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone?
The IUPAC name of [(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone (CID 50948496) is [(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone.
What is the SMILES notation for [(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone?
The canonical SMILES for [(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone is Cc1nc2sccn2c1C(=O)N1[C@H]2CCNC[C@@H]1CC2.
What is the InChIKey of [(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone?
The InChIKey is JIAXUBFXZQPCJU-MNOVXSKESA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9-12(17-6-7-20-14(17)16-9)13(19)18-10-2-3-11(18)8-15-5-4-10/h6-7,10-11,15H,2-5,8H2,1H3/t10-,11+/m1/s1.
What are the key properties of [(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone?
[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone has a molecular weight of 290.39 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone is sourced from PubChem (CID 50948496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).