N-[3-(1,3-benzothiazol-2-yl)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-2-(4-fluorophenyl)acetamide

C22H14F2N4OS — CID 66991288

IUPACN-[3-(1,3-benzothiazol-2-yl)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1nc2ccc(F)cn2c1-c1nc2ccccc2s1
InChIInChI=1S/C22H14F2N4OS/c23-14-7-5-13(6-8-14)11-19(29)27-21-20(28-12-15(24)9-10-18(28)26-21)22-25-16-3-1-2-4-17(16)30-22/h1-10,12H,11H2,(H,27,29)
InChIKeyHSRMFXPTNRIDNM-UHFFFAOYSA-N
MW420.44 g/mol
LogP5.07
Rot. Bonds4

About N-[3-(1,3-benzothiazol-2-yl)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-2-(4-fluorophenyl)acetamide

N-[3-(1,3-benzothiazol-2-yl)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 66991288) has the molecular formula C22H14F2N4OS and a molecular weight of 420.44 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-2-(4-fluorophenyl)acetamide
PubChem CID66991288
Molecular FormulaC22H14F2N4OS
Molecular Weight420.44 g/mol
Exact Mass420.09
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1nc2ccc(F)cn2c1-c1nc2ccccc2s1
InChIInChI=1S/C22H14F2N4OS/c23-14-7-5-13(6-8-14)11-19(29)27-21-20(28-12-15(24)9-10-18(28)26-21)22-25-16-3-1-2-4-17(16)30-22/h1-10,12H,11H2,(H,27,29)
InChIKeyHSRMFXPTNRIDNM-UHFFFAOYSA-N
XLogP5.07
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.44
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-2-(4-fluorophenyl)acetamide (CID 66991288) is N-[3-(1,3-benzothiazol-2-yl)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)Nc1nc2ccc(F)cn2c1-c1nc2ccccc2s1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is HSRMFXPTNRIDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N4OS/c23-14-7-5-13(6-8-14)11-19(29)27-21-20(28-12-15(24)9-10-18(28)26-21)22-25-16-3-1-2-4-17(16)30-22/h1-10,12H,11H2,(H,27,29).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-2-(4-fluorophenyl)acetamide?
N-[3-(1,3-benzothiazol-2-yl)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 420.44 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 66991288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).