2-(2-fluorophenyl)-5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridine

C21H15FN2S — CID 57397984

IUPAC2-(2-fluorophenyl)-5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridine
SMILESFc1ccccc1-c1nc2ccc(C3(c4ccccc4)CC3)nc2s1
InChIInChI=1S/C21H15FN2S/c22-16-9-5-4-8-15(16)19-23-17-10-11-18(24-20(17)25-19)21(12-13-21)14-6-2-1-3-7-14/h1-11H,12-13H2
InChIKeyDCBBXRFSJCTLPY-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.58
Rot. Bonds3

About 2-(2-fluorophenyl)-5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridine

2-(2-fluorophenyl)-5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 57397984) has the molecular formula C21H15FN2S and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridine
PubChem CID57397984
Molecular FormulaC21H15FN2S
Molecular Weight346.43 g/mol
Exact Mass346.09
IUPAC Name2-(2-fluorophenyl)-5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridine
SMILESFc1ccccc1-c1nc2ccc(C3(c4ccccc4)CC3)nc2s1
InChIInChI=1S/C21H15FN2S/c22-16-9-5-4-8-15(16)19-23-17-10-11-18(24-20(17)25-19)21(12-13-21)14-6-2-1-3-7-14/h1-11H,12-13H2
InChIKeyDCBBXRFSJCTLPY-UHFFFAOYSA-N
XLogP5.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-Fluoro-4-(5-(1-phenylcyclopropyl)thiazolo[5,4-b]pyridin-2-yl)phenylamino)propanoic acid
CID 44599686
3-Azetidinecarboxylic acid, 1-[[3-fluoro-4-[5-(1-phenylcyclopropyl)thiazolo[5,4-b]pyridin-2-yl]phenyl]Methyl]-
CID 44600476
4-(3-Fluoro-4-(5-(1-phenylcyclopropyl)thiazolo[5,4-b]pyridin-2-yl)phenyl)butanoic acid
CID 44600484
N-(3-fluoro-4-(5-(1-phenylcyclopropyl)[1,3]thiazolo[5,4-b]pyridin-2-yl)-benzyl)glycine
CID 57396172
2-(3-Fluoro-4-(5-(1-phenylcyclopropyl)thiazolo[5,4-b]pyridin-2-yl)phenyl)ethanamine
CID 57397896
N-(2-(3-fluoro-4-(5-(1-phenylcyclopropyl)[1,3]thiazolo[5,4-b]pyridin-2-yl)-phenyl)ethyl)glycine
CID 57397897
3-Fluoro-4-(5-(1-phenylcyclopropyl)thiazolo[5,4-b]pyridin-2-yl)benzenamine
CID 57403052
3-[[3-Fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]methylamino]propanoic acid
CID 57403053
2-(3-Fluorophenyl)-1,3-benzothiazole
CID 242878
2-(4'-Fluorophenyl)-1,3-benzothiazole
CID 242879
2-Benzothiazol-2-yl-quinoline
CID 699802
3-[3-Fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]propan-1-amine
CID 57392608

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-(2-fluorophenyl)-5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridine (CID 57397984) is 2-(2-fluorophenyl)-5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(2-fluorophenyl)-5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-(2-fluorophenyl)-5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridine is Fc1ccccc1-c1nc2ccc(C3(c4ccccc4)CC3)nc2s1.
What is the InChIKey of 2-(2-fluorophenyl)-5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is DCBBXRFSJCTLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2S/c22-16-9-5-4-8-15(16)19-23-17-10-11-18(24-20(17)25-19)21(12-13-21)14-6-2-1-3-7-14/h1-11H,12-13H2.
What are the key properties of 2-(2-fluorophenyl)-5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridine?
2-(2-fluorophenyl)-5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 346.43 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 57397984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).