1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]ethanone

C16H11ClFN3O2S — CID 58318748

IUPAC1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]ethanone
SMILESO=C(Cc1nc(CF)cs1)c1cc(Cl)cc(Oc2cncnc2)c1
InChIInChI=1S/C16H11ClFN3O2S/c17-11-1-10(15(22)4-16-21-12(5-18)8-24-16)2-13(3-11)23-14-6-19-9-20-7-14/h1-3,6-9H,4-5H2
InChIKeyMKTZIZWGHHCKDU-UHFFFAOYSA-N
MW363.80 g/mol
LogP4.27
Rot. Bonds6

About 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]ethanone

1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]ethanone (PubChem CID 58318748) 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-[4-(fluoromethyl)-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]ethanone
PubChem CID58318748
Molecular FormulaC16H11ClFN3O2S
Molecular Weight363.80 g/mol
Exact Mass363.02
IUPAC Name1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]ethanone
SMILESO=C(Cc1nc(CF)cs1)c1cc(Cl)cc(Oc2cncnc2)c1
InChIInChI=1S/C16H11ClFN3O2S/c17-11-1-10(15(22)4-16-21-12(5-18)8-24-16)2-13(3-11)23-14-6-19-9-20-7-14/h1-3,6-9H,4-5H2
InChIKeyMKTZIZWGHHCKDU-UHFFFAOYSA-N
XLogP4.27
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(fluoromethyl)-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
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-[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
3-fluoro-N-(4-propyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide
CID 73349559
N-[4-(difluoromethyl)-1,3-thiazol-2-yl]-3-fluoro-5-pyrimidin-5-yloxybenzamide
CID 72375917

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]ethanone (CID 58318748) is 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]ethanone is O=C(Cc1nc(CF)cs1)c1cc(Cl)cc(Oc2cncnc2)c1.
What is the InChIKey of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]ethanone?
The InChIKey is MKTZIZWGHHCKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O2S/c17-11-1-10(15(22)4-16-21-12(5-18)8-24-16)2-13(3-11)23-14-6-19-9-20-7-14/h1-3,6-9H,4-5H2.
What are the key properties of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]ethanone?
1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]ethanone has a molecular weight of 363.80 g/mol, XLogP of 4.27, 6 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-[4-(fluoromethyl)-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 58318748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).