imidazo[1,2-a]pyrimidin-3-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone

C14H15N3OS — CID 171945517

IUPACimidazo[1,2-a]pyrimidin-3-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1cnc2ncccn12)C1CC2CCC(C1)S2
InChIInChI=1S/C14H15N3OS/c18-13(9-6-10-2-3-11(7-9)19-10)12-8-16-14-15-4-1-5-17(12)14/h1,4-5,8-11H,2-3,6-7H2
InChIKeyKSXVULCCORMBRY-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.59
Rot. Bonds2

About imidazo[1,2-a]pyrimidin-3-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone

imidazo[1,2-a]pyrimidin-3-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171945517) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is imidazo[1,2-a]pyrimidin-3-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Nameimidazo[1,2-a]pyrimidin-3-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171945517
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Nameimidazo[1,2-a]pyrimidin-3-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1cnc2ncccn12)C1CC2CCC(C1)S2
InChIInChI=1S/C14H15N3OS/c18-13(9-6-10-2-3-11(7-9)19-10)12-8-16-14-15-4-1-5-17(12)14/h1,4-5,8-11H,2-3,6-7H2
InChIKeyKSXVULCCORMBRY-UHFFFAOYSA-N
XLogP2.59
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Imidazo[1,2-a]pyrimidin-3-yl-2-methylbutan-1-one
CID 135193956
2-Butyl-1-imidazo[1,2-a]pyrimidin-3-ylhexan-1-one
CID 154612485
2-Ethyl-1-imidazo[1,2-a]pyrimidin-3-ylbutan-1-one
CID 166942027
8-Azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone
CID 171945510
Imidazo[1,2-a]pyrimidin-3-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171945511
Tert-butyl 3-(imidazo[1,2-a]pyrimidine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171945512
Imidazo[1,2-a]pyrimidin-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171945516
Imidazo[1,2-a]pyrimidin-3-yl-(8-oxo-8lambda4-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171945518
(8,8-Dioxo-8lambda6-thiabicyclo[3.2.1]octan-3-yl)-imidazo[1,2-a]pyrimidin-3-ylmethanone
CID 171945519
Imidazo[1,2-a]pyrimidin-3-yl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945521
Imidazo[1,2-a]pyrimidin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945526
Imidazo[1,2-a]pyrimidin-3-yl-(9-oxo-9lambda4-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945527

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyrimidin-3-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of imidazo[1,2-a]pyrimidin-3-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone (CID 171945517) is imidazo[1,2-a]pyrimidin-3-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for imidazo[1,2-a]pyrimidin-3-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for imidazo[1,2-a]pyrimidin-3-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone is O=C(c1cnc2ncccn12)C1CC2CCC(C1)S2.
What is the InChIKey of imidazo[1,2-a]pyrimidin-3-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is KSXVULCCORMBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c18-13(9-6-10-2-3-11(7-9)19-10)12-8-16-14-15-4-1-5-17(12)14/h1,4-5,8-11H,2-3,6-7H2.
What are the key properties of imidazo[1,2-a]pyrimidin-3-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone?
imidazo[1,2-a]pyrimidin-3-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 273.36 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyrimidin-3-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171945517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).