[(3S)-3-(1,3-benzothiazol-2-yloxy)-4,4-difluoropiperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone

C20H16F2N4O2S — CID 90285146

IUPAC[(3S)-3-(1,3-benzothiazol-2-yloxy)-4,4-difluoropiperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone
SMILESO=C(c1cccn2ccnc12)N1CCC(F)(F)[C@@H](Oc2nc3ccccc3s2)C1
InChIInChI=1S/C20H16F2N4O2S/c21-20(22)7-10-26(18(27)13-4-3-9-25-11-8-23-17(13)25)12-16(20)28-19-24-14-5-1-2-6-15(14)29-19/h1-6,8-9,11,16H,7,10,12H2/t16-/m0/s1
InChIKeyQTAHHDWJXPDBLI-INIZCTEOSA-N
MW414.44 g/mol
LogP3.87
Rot. Bonds3

About [(3S)-3-(1,3-benzothiazol-2-yloxy)-4,4-difluoropiperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone

[(3S)-3-(1,3-benzothiazol-2-yloxy)-4,4-difluoropiperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone (PubChem CID 90285146) has the molecular formula C20H16F2N4O2S and a molecular weight of 414.44 g/mol. Its IUPAC name is [(3S)-3-(1,3-benzothiazol-2-yloxy)-4,4-difluoropiperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(1,3-benzothiazol-2-yloxy)-4,4-difluoropiperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone
PubChem CID90285146
Molecular FormulaC20H16F2N4O2S
Molecular Weight414.44 g/mol
Exact Mass414.10
IUPAC Name[(3S)-3-(1,3-benzothiazol-2-yloxy)-4,4-difluoropiperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone
SMILESO=C(c1cccn2ccnc12)N1CCC(F)(F)[C@@H](Oc2nc3ccccc3s2)C1
InChIInChI=1S/C20H16F2N4O2S/c21-20(22)7-10-26(18(27)13-4-3-9-25-11-8-23-17(13)25)12-16(20)28-19-24-14-5-1-2-6-15(14)29-19/h1-6,8-9,11,16H,7,10,12H2/t16-/m0/s1
InChIKeyQTAHHDWJXPDBLI-INIZCTEOSA-N
XLogP3.87
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(1,3-benzothiazol-2-yloxy)-4,4-difluoropiperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone?
The IUPAC name of [(3S)-3-(1,3-benzothiazol-2-yloxy)-4,4-difluoropiperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone (CID 90285146) is [(3S)-3-(1,3-benzothiazol-2-yloxy)-4,4-difluoropiperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone.
What is the SMILES notation for [(3S)-3-(1,3-benzothiazol-2-yloxy)-4,4-difluoropiperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone?
The canonical SMILES for [(3S)-3-(1,3-benzothiazol-2-yloxy)-4,4-difluoropiperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone is O=C(c1cccn2ccnc12)N1CCC(F)(F)[C@@H](Oc2nc3ccccc3s2)C1.
What is the InChIKey of [(3S)-3-(1,3-benzothiazol-2-yloxy)-4,4-difluoropiperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone?
The InChIKey is QTAHHDWJXPDBLI-INIZCTEOSA-N. The full InChI is InChI=1S/C20H16F2N4O2S/c21-20(22)7-10-26(18(27)13-4-3-9-25-11-8-23-17(13)25)12-16(20)28-19-24-14-5-1-2-6-15(14)29-19/h1-6,8-9,11,16H,7,10,12H2/t16-/m0/s1.
What are the key properties of [(3S)-3-(1,3-benzothiazol-2-yloxy)-4,4-difluoropiperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone?
[(3S)-3-(1,3-benzothiazol-2-yloxy)-4,4-difluoropiperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone has a molecular weight of 414.44 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(1,3-benzothiazol-2-yloxy)-4,4-difluoropiperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone is sourced from PubChem (CID 90285146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).