1-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-2-(1,3-thiazol-2-yl)ethanone

C19H15FN2OS — CID 59149681

IUPAC1-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-2-(1,3-thiazol-2-yl)ethanone
SMILESO=C(Cc1nccs1)C1CC1c1ccc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C19H15FN2OS/c20-14-4-1-12(2-5-14)17-6-3-13(11-22-17)15-9-16(15)18(23)10-19-21-7-8-24-19/h1-8,11,15-16H,9-10H2
InChIKeyQISGYGQFDPJQPJ-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.26
Rot. Bonds5

About 1-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-2-(1,3-thiazol-2-yl)ethanone

1-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 59149681) has the molecular formula C19H15FN2OS and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-2-(1,3-thiazol-2-yl)ethanone
PubChem CID59149681
Molecular FormulaC19H15FN2OS
Molecular Weight338.41 g/mol
Exact Mass338.09
IUPAC Name1-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-2-(1,3-thiazol-2-yl)ethanone
SMILESO=C(Cc1nccs1)C1CC1c1ccc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C19H15FN2OS/c20-14-4-1-12(2-5-14)17-6-3-13(11-22-17)15-9-16(15)18(23)10-19-21-7-8-24-19/h1-8,11,15-16H,9-10H2
InChIKeyQISGYGQFDPJQPJ-UHFFFAOYSA-N
XLogP4.26
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-Fluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 2347880
4-[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 5306660
2-(4-Fluorophenyl)-5-[(2-methyl-4-thiazolyl)ethynyl]pyridine
CID 11500296
3-(4-Fluorophenyl)-5-[(2-methyl-4-thiazolyl)ethynyl]pyridine
CID 11623479
7-Phenyl-1-(5-(pyridin-2-yl)-thiazol-2-yl)-heptan-1-one
CID 24950364
4-[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]pyridine
CID 738487
4-[4-(4-Fluoro-phenyl)-thiazol-5-yl]-pyridine
CID 44307229
4-(3-Fluorophenyl)-2-(2-propyl-4-pyridyl)thiazole
CID 118709514
4-(2-Fluorophenyl)-2-(2-propyl-4-pyridyl)thiazole
CID 118709515
3-[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]pyridine
CID 592589
2-(2-Fluorophenyl)-5-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine
CID 16662866
2-(3-Fluorophenyl)-5-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine
CID 16662867

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-2-(1,3-thiazol-2-yl)ethanone (CID 59149681) is 1-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-2-(1,3-thiazol-2-yl)ethanone is O=C(Cc1nccs1)C1CC1c1ccc(-c2ccc(F)cc2)nc1.
What is the InChIKey of 1-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is QISGYGQFDPJQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2OS/c20-14-4-1-12(2-5-14)17-6-3-13(11-22-17)15-9-16(15)18(23)10-19-21-7-8-24-19/h1-8,11,15-16H,9-10H2.
What are the key properties of 1-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-2-(1,3-thiazol-2-yl)ethanone?
1-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-2-(1,3-thiazol-2-yl)ethanone has a molecular weight of 338.41 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 59149681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).