2-(4-ethyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone

C17H14FN3O2S — CID 58318697

IUPAC2-(4-ethyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
SMILESCCc1csc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1
InChIInChI=1S/C17H14FN3O2S/c1-2-13-9-24-17(21-13)6-16(22)11-3-12(18)5-14(4-11)23-15-7-19-10-20-8-15/h3-5,7-10H,2,6H2,1H3
InChIKeyYNQQXEXWYJAUEN-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.85
Rot. Bonds6

About 2-(4-ethyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone

2-(4-ethyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone (PubChem CID 58318697) has the molecular formula C17H14FN3O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-(4-ethyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-ethyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
PubChem CID58318697
Molecular FormulaC17H14FN3O2S
Molecular Weight343.38 g/mol
Exact Mass343.08
IUPAC Name2-(4-ethyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
SMILESCCc1csc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1
InChIInChI=1S/C17H14FN3O2S/c1-2-13-9-24-17(21-13)6-16(22)11-3-12(18)5-14(4-11)23-15-7-19-10-20-8-15/h3-5,7-10H,2,6H2,1H3
InChIKeyYNQQXEXWYJAUEN-UHFFFAOYSA-N
XLogP3.85
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

VU-0409106
CID 50990953
3-chloro-N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-5-pyrimidin-5-yloxybenzamide
CID 51033449
N-(4-methylthiazol-2-yl)-3-(pyridin-3-yloxy)benzamide
CID 51033561
3-chloro-N-[4-(difluoromethyl)-1,3-thiazol-2-yl]-5-pyrimidin-5-yloxybenzamide
CID 51033674
N-(4-methyl-1,3-thiazol-2-yl)-3-pyrimidin-5-yloxybenzamide
CID 72375744
3-chloro-N-(4-methyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide
CID 72375745
3-fluoro-N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide
CID 72375830
3-fluoro-N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-5-pyrimidin-5-yloxybenzamide
CID 72375831
3-chloro-N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide
CID 72375919
3-chloro-5-pyrimidin-5-yloxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 72375920
N-(4-methyl-1,3-thiazol-2-yl)-3-pyrimidin-5-yloxy-5-(trifluoromethyl)benzamide
CID 72375746
3-chloro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide
CID 73349558

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone?
The IUPAC name of 2-(4-ethyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone (CID 58318697) is 2-(4-ethyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone.
What is the SMILES notation for 2-(4-ethyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone?
The canonical SMILES for 2-(4-ethyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone is CCc1csc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1.
What is the InChIKey of 2-(4-ethyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone?
The InChIKey is YNQQXEXWYJAUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2S/c1-2-13-9-24-17(21-13)6-16(22)11-3-12(18)5-14(4-11)23-15-7-19-10-20-8-15/h3-5,7-10H,2,6H2,1H3.
What are the key properties of 2-(4-ethyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone?
2-(4-ethyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone has a molecular weight of 343.38 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone is sourced from PubChem (CID 58318697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).