5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine

C53H34ClF2N9S3 — CID 159912404

IUPAC5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESCc1cc(-c2ncccc2-c2ccc3ncsc3n2)ccc1F.Cc1cccc(-c2ncccc2-c2ccc3ncsc3n2)c1.Fc1ccc(-c2ncccc2-c2ccc3ncsc3n2)cc1Cl
InChIInChI=1S/C18H12FN3S.C18H13N3S.C17H9ClFN3S/c1-11-9-12(4-5-14(11)19)17-13(3-2-8-20-17)15-6-7-16-18(22-15)23-10-21-16;1-12-4-2-5-13(10-12)17-14(6-3-9-19-17)15-7-8-16-18(21-15)22-11-20-16;18-12-8-10(3-4-13(12)19)16-11(2-1-7-20-16)14-5-6-15-17(22-14)23-9-21-15/h2-10H,1H3;2-11H,1H3;1-9H
InChIKeyNXIQSHXBQLLUIC-UHFFFAOYSA-N
MW966.57 g/mol
LogP14.81
Rot. Bonds6

About 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine

5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 159912404) has the molecular formula C53H34ClF2N9S3 and a molecular weight of 966.57 g/mol. Its IUPAC name is 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine
PubChem CID159912404
Molecular FormulaC53H34ClF2N9S3
Molecular Weight966.57 g/mol
Exact Mass965.18
IUPAC Name5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESCc1cc(-c2ncccc2-c2ccc3ncsc3n2)ccc1F.Cc1cccc(-c2ncccc2-c2ccc3ncsc3n2)c1.Fc1ccc(-c2ncccc2-c2ccc3ncsc3n2)cc1Cl
InChIInChI=1S/C18H12FN3S.C18H13N3S.C17H9ClFN3S/c1-11-9-12(4-5-14(11)19)17-13(3-2-8-20-17)15-6-7-16-18(22-15)23-10-21-16;1-12-4-2-5-13(10-12)17-14(6-3-9-19-17)15-7-8-16-18(21-15)22-11-20-16;18-12-8-10(3-4-13(12)19)16-11(2-1-7-20-16)14-5-6-15-17(22-14)23-9-21-15/h2-10H,1H3;2-11H,1H3;1-9H
InChIKeyNXIQSHXBQLLUIC-UHFFFAOYSA-N
XLogP14.81
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500966.57
LogP ≤ 514.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine with MolForge

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Related Compounds

5-[2-(3-Chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine
CID 90094802
5-[2-(3-Chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine
CID 139495242
2-[2-[3,5-Bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
CID 23391270
2-[3-[3,5-Bis[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine
CID 23391283
2-[4-[3,5-Bis[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
CID 23391324
2-[2-[2,4,6-Trimethyl-3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
CID 23399507
2-[4-[3,5-Bis[2,3,5,6-tetramethyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]-[1,3]thiazolo[5,4-b]pyridine
CID 23399525
5-Chloro-2-(4-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine;ethane;5-fluoro-2-(4-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine;5-methyl-2-(4-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine;tris(2-methylpropane)
CID 144094457
2-[3,5-Bis(3,5-dipyridin-3-ylphenyl)phenyl]-1,3-benzothiazole;2-[2-(3,5-dipyridin-3-ylphenyl)-4,6-dipyridin-3-yl-3-pyridinyl]-1,3-benzothiazole;2-[2-(3,5-dipyridin-3-ylphenyl)-6-pyridin-3-yl-3-pyridinyl]-1,3-benzothiazole
CID 158322433
5-[2-(2,4-Difluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;4-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoline
CID 158941771
4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole
CID 159133984
2-Bromo-5-methyl-1,3-thiazole;2-chloro-1,5-naphthyridine;2-methyl-1,5-naphthyridine;5-methyl-2-(1,5-naphthyridin-2-yl)-1,3-thiazole;5-methyl-2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole
CID 159696514

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine (CID 159912404) is 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine is Cc1cc(-c2ncccc2-c2ccc3ncsc3n2)ccc1F.Cc1cccc(-c2ncccc2-c2ccc3ncsc3n2)c1.Fc1ccc(-c2ncccc2-c2ccc3ncsc3n2)cc1Cl.
What is the InChIKey of 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is NXIQSHXBQLLUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3S.C18H13N3S.C17H9ClFN3S/c1-11-9-12(4-5-14(11)19)17-13(3-2-8-20-17)15-6-7-16-18(22-15)23-10-21-16;1-12-4-2-5-13(10-12)17-14(6-3-9-19-17)15-7-8-16-18(21-15)22-11-20-16;18-12-8-10(3-4-13(12)19)16-11(2-1-7-20-16)14-5-6-15-17(22-14)23-9-21-15/h2-10H,1H3;2-11H,1H3;1-9H.
What are the key properties of 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine?
5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 966.57 g/mol, XLogP of 14.81, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 159912404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).