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

C16H11ClFN3O2S — CID 58318763

IUPAC1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1nc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)sc1F
InChIInChI=1S/C16H11ClFN3O2S/c1-9-16(18)24-15(21-9)5-14(22)10-2-11(17)4-12(3-10)23-13-6-19-8-20-7-13/h2-4,6-8H,5H2,1H3
InChIKeyFRPZGEGKXIFPKI-UHFFFAOYSA-N
MW363.80 g/mol
LogP4.25
Rot. Bonds5

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

1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone (PubChem CID 58318763) has the molecular formula C16H11ClFN3O2S and a molecular weight of 363.80 g/mol. Its IUPAC name is 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone
PubChem CID58318763
Molecular FormulaC16H11ClFN3O2S
Molecular Weight363.80 g/mol
Exact Mass363.02
IUPAC Name1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1nc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)sc1F
InChIInChI=1S/C16H11ClFN3O2S/c1-9-16(18)24-15(21-9)5-14(22)10-2-11(17)4-12(3-10)23-13-6-19-8-20-7-13/h2-4,6-8H,5H2,1H3
InChIKeyFRPZGEGKXIFPKI-UHFFFAOYSA-N
XLogP4.25
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone with MolForge

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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
3-chloro-N-[4-(difluoromethyl)-1,3-thiazol-2-yl]-5-pyrimidin-5-yloxybenzamide
CID 51033674
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-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
3-chloro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide
CID 73349558
3-fluoro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide
CID 73349559
1-(3-Chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]ethanone
CID 58318690
1-(3-Chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-fluoro-2-pyridinyl)ethanone
CID 58318696
2-(4-Ethyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
CID 58318697

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone (CID 58318763) is 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone is Cc1nc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)sc1F.
What is the InChIKey of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is FRPZGEGKXIFPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O2S/c1-9-16(18)24-15(21-9)5-14(22)10-2-11(17)4-12(3-10)23-13-6-19-8-20-7-13/h2-4,6-8H,5H2,1H3.
What are the key properties of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone?
1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 363.80 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 58318763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).