[2-fluoro-5-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone

C19H16FNO4S — CID 46929743

IUPAC[2-fluoro-5-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(-c3nccs3)ccc2F)cc(OC)c1OC
InChIInChI=1S/C19H16FNO4S/c1-23-15-9-12(10-16(24-2)18(15)25-3)17(22)13-8-11(4-5-14(13)20)19-21-6-7-26-19/h4-10H,1-3H3
InChIKeySXBOMFBURVSAFI-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.21
Rot. Bonds6

About [2-fluoro-5-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone

[2-fluoro-5-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 46929743) has the molecular formula C19H16FNO4S and a molecular weight of 373.41 g/mol. Its IUPAC name is [2-fluoro-5-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-fluoro-5-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID46929743
Molecular FormulaC19H16FNO4S
Molecular Weight373.41 g/mol
Exact Mass373.08
IUPAC Name[2-fluoro-5-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(-c3nccs3)ccc2F)cc(OC)c1OC
InChIInChI=1S/C19H16FNO4S/c1-23-15-9-12(10-16(24-2)18(15)25-3)17(22)13-8-11(4-5-14(13)20)19-21-6-7-26-19/h4-10H,1-3H3
InChIKeySXBOMFBURVSAFI-UHFFFAOYSA-N
XLogP4.21
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-fluoro-5-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone (CID 46929743) is [2-fluoro-5-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-fluoro-5-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-fluoro-5-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cc(-c3nccs3)ccc2F)cc(OC)c1OC.
What is the InChIKey of [2-fluoro-5-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is SXBOMFBURVSAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4S/c1-23-15-9-12(10-16(24-2)18(15)25-3)17(22)13-8-11(4-5-14(13)20)19-21-6-7-26-19/h4-10H,1-3H3.
What are the key properties of [2-fluoro-5-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
[2-fluoro-5-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 373.41 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 46929743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).