1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]ethanone

C21H17FN4O2S — CID 147124975

IUPAC1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]ethanone
SMILESCc1cc(-c2nc(-c3ccc(CC(=O)c4cncc(F)c4C)nc3)c(C)s2)no1
InChIInChI=1S/C21H17FN4O2S/c1-11-6-18(26-28-11)21-25-20(13(3)29-21)14-4-5-15(24-8-14)7-19(27)16-9-23-10-17(22)12(16)2/h4-6,8-10H,7H2,1-3H3
InChIKeyBPCHEMVRTVFMCX-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.74
Rot. Bonds5

About 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]ethanone

1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]ethanone (PubChem CID 147124975) has the molecular formula C21H17FN4O2S and a molecular weight of 408.46 g/mol. Its IUPAC name is 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]ethanone
PubChem CID147124975
Molecular FormulaC21H17FN4O2S
Molecular Weight408.46 g/mol
Exact Mass408.11
IUPAC Name1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]ethanone
SMILESCc1cc(-c2nc(-c3ccc(CC(=O)c4cncc(F)c4C)nc3)c(C)s2)no1
InChIInChI=1S/C21H17FN4O2S/c1-11-6-18(26-28-11)21-25-20(13(3)29-21)14-4-5-15(24-8-14)7-19(27)16-9-23-10-17(22)12(16)2/h4-6,8-10H,7H2,1-3H3
InChIKeyBPCHEMVRTVFMCX-UHFFFAOYSA-N
XLogP4.74
TPSA81.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

5-[2-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]acetyl]-4-methylpyridine-3-carbonitrile
CID 146842177
2-[5-[5-ethyl-2-(2-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-pyridinyl]-1-(3-fluoro-2-methylphenyl)ethanone;1-(3-fluoro-2-methylphenyl)-2-[5-(5-methyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)-2-pyridinyl]ethanone
CID 160918519
2-[5-[(E)-1-(6-ethoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-1-(5-fluoro-4-methyl-3-pyridinyl)ethanone
CID 149284964
1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methylphenyl]pyrazin-2-yl]ethanone
CID 146859557
2-[4-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-5-yl]acetamide
CID 141277958
2-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)ethanone
CID 104798897
5-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 17249187
2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81273317
2-[5-[2-chloro-5-(dimethylamino)phenyl]-2-pyridinyl]-1-(4-methyl-3-pyridinyl)ethanone
CID 147611553
1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanone
CID 66448501
5-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylpyridin-2-amine;methyl acetate
CID 142178566
2-[5-[2-(6-amino-3-pyridinyl)-5-ethyl-1,3-thiazol-4-yl]-2-pyridinyl]-1-(3-fluoro-2-methylphenyl)ethanone;2,6-difluoro-N-[5-[2-(2-hydroxypropan-2-yl)-5-pyridin-3-ylthiophen-3-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(2-prop-1-en-2-yl-5-pyridin-3-ylthiophen-3-yl)-2-pyridinyl]benzamide;2-[5-[2-(1,5-dimethylpyrazol-4-yl)-5-methyl-1,3-thiazol-4-yl]-2-pyridinyl]-1-(2-fluoro-6-methylphenyl)ethanone;2-[5-(5-ethyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-2-pyridinyl]-1-(3-fluoro-2-methylphenyl)ethanone
CID 158009303

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]ethanone?
The IUPAC name of 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]ethanone (CID 147124975) is 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]ethanone is Cc1cc(-c2nc(-c3ccc(CC(=O)c4cncc(F)c4C)nc3)c(C)s2)no1.
What is the InChIKey of 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]ethanone?
The InChIKey is BPCHEMVRTVFMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2S/c1-11-6-18(26-28-11)21-25-20(13(3)29-21)14-4-5-15(24-8-14)7-19(27)16-9-23-10-17(22)12(16)2/h4-6,8-10H,7H2,1-3H3.
What are the key properties of 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]ethanone?
1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]ethanone has a molecular weight of 408.46 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]ethanone is sourced from PubChem (CID 147124975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).