6-[[8-fluoro-6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole

C21H13F2N3S — CID 141330386

IUPAC6-[[8-fluoro-6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole
SMILESFc1cccc(-c2cc(F)c3ncc(Cc4ccc5ncsc5c4)n3c2)c1
InChIInChI=1S/C21H13F2N3S/c22-16-3-1-2-14(8-16)15-9-18(23)21-24-10-17(26(21)11-15)6-13-4-5-19-20(7-13)27-12-25-19/h1-5,7-12H,6H2
InChIKeyVYFXAZWZAFIQSD-UHFFFAOYSA-N
MW377.42 g/mol
LogP5.48
Rot. Bonds3

About 6-[[8-fluoro-6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole

6-[[8-fluoro-6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole (PubChem CID 141330386) has the molecular formula C21H13F2N3S and a molecular weight of 377.42 g/mol. Its IUPAC name is 6-[[8-fluoro-6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-[[8-fluoro-6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole
PubChem CID141330386
Molecular FormulaC21H13F2N3S
Molecular Weight377.42 g/mol
Exact Mass377.08
IUPAC Name6-[[8-fluoro-6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole
SMILESFc1cccc(-c2cc(F)c3ncc(Cc4ccc5ncsc5c4)n3c2)c1
InChIInChI=1S/C21H13F2N3S/c22-16-3-1-2-14(8-16)15-9-18(23)21-24-10-17(26(21)11-15)6-13-4-5-19-20(7-13)27-12-25-19/h1-5,7-12H,6H2
InChIKeyVYFXAZWZAFIQSD-UHFFFAOYSA-N
XLogP5.48
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.42
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[[8-fluoro-6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole with MolForge

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Related Compounds

Imidazopyridine 10e
CID 5329344
Imidazopyridine 10f
CID 5329345
Ikk-IN-3
CID 10215156
12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823959
N,12-dimethyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823960
12-methyl-4-phenyl-N-[2-(piperidin-1-yl)ethyl]-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823975
Dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]amine
CID 20823982
N-ethyl-12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20824060
S-21007
CID 9863146
7-[7-[4-(4-Methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[2,3-b]pyrazine
CID 56973462
N-(2-aminoethyl)-12-methyl-4-(pyridin-3-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093433
N-(2-aminoethyl)-12-methyl-4-(pyridin-4-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093434

Frequently Asked Questions

What is the IUPAC name of 6-[[8-fluoro-6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole?
The IUPAC name of 6-[[8-fluoro-6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole (CID 141330386) is 6-[[8-fluoro-6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole.
What is the SMILES notation for 6-[[8-fluoro-6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole?
The canonical SMILES for 6-[[8-fluoro-6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole is Fc1cccc(-c2cc(F)c3ncc(Cc4ccc5ncsc5c4)n3c2)c1.
What is the InChIKey of 6-[[8-fluoro-6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole?
The InChIKey is VYFXAZWZAFIQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F2N3S/c22-16-3-1-2-14(8-16)15-9-18(23)21-24-10-17(26(21)11-15)6-13-4-5-19-20(7-13)27-12-25-19/h1-5,7-12H,6H2.
What are the key properties of 6-[[8-fluoro-6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole?
6-[[8-fluoro-6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole has a molecular weight of 377.42 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[8-fluoro-6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole is sourced from PubChem (CID 141330386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).