[2-[2-(1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol

C21H14FN3OS — CID 68631513

IUPAC[2-[2-(1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol
SMILESOCc1c(F)cccc1-c1ccc2nc(-c3nc4ccccc4s3)cn2c1
InChIInChI=1S/C21H14FN3OS/c22-16-5-3-4-14(15(16)12-26)13-8-9-20-23-18(11-25(20)10-13)21-24-17-6-1-2-7-19(17)27-21/h1-11,26H,12H2
InChIKeyMXFVBHGNBIYONI-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.91
Rot. Bonds3

About [2-[2-(1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol

[2-[2-(1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol (PubChem CID 68631513) has the molecular formula C21H14FN3OS and a molecular weight of 375.43 g/mol. Its IUPAC name is [2-[2-(1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-[2-(1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol
PubChem CID68631513
Molecular FormulaC21H14FN3OS
Molecular Weight375.43 g/mol
Exact Mass375.08
IUPAC Name[2-[2-(1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol
SMILESOCc1c(F)cccc1-c1ccc2nc(-c3nc4ccccc4s3)cn2c1
InChIInChI=1S/C21H14FN3OS/c22-16-5-3-4-14(15(16)12-26)13-8-9-20-23-18(11-25(20)10-13)21-24-17-6-1-2-7-19(17)27-21/h1-11,26H,12H2
InChIKeyMXFVBHGNBIYONI-UHFFFAOYSA-N
XLogP4.91
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol?
The IUPAC name of [2-[2-(1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol (CID 68631513) is [2-[2-(1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol.
What is the SMILES notation for [2-[2-(1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol?
The canonical SMILES for [2-[2-(1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol is OCc1c(F)cccc1-c1ccc2nc(-c3nc4ccccc4s3)cn2c1.
What is the InChIKey of [2-[2-(1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol?
The InChIKey is MXFVBHGNBIYONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3OS/c22-16-5-3-4-14(15(16)12-26)13-8-9-20-23-18(11-25(20)10-13)21-24-17-6-1-2-7-19(17)27-21/h1-11,26H,12H2.
What are the key properties of [2-[2-(1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol?
[2-[2-(1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol has a molecular weight of 375.43 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol is sourced from PubChem (CID 68631513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).