[1-[3-(2-fluoro-6-methoxyphenyl)phenyl]imidazol-4-yl]-(1,3-thiazol-2-yl)methanone

C20H14FN3O2S — CID 16679206

IUPAC[1-[3-(2-fluoro-6-methoxyphenyl)phenyl]imidazol-4-yl]-(1,3-thiazol-2-yl)methanone
SMILESCOc1cccc(F)c1-c1cccc(-n2cnc(C(=O)c3nccs3)c2)c1
InChIInChI=1S/C20H14FN3O2S/c1-26-17-7-3-6-15(21)18(17)13-4-2-5-14(10-13)24-11-16(23-12-24)19(25)20-22-8-9-27-20/h2-12H,1H3
InChIKeyJWUXOQVFTUUOQH-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.37
Rot. Bonds5

About [1-[3-(2-fluoro-6-methoxyphenyl)phenyl]imidazol-4-yl]-(1,3-thiazol-2-yl)methanone

[1-[3-(2-fluoro-6-methoxyphenyl)phenyl]imidazol-4-yl]-(1,3-thiazol-2-yl)methanone (PubChem CID 16679206) has the molecular formula C20H14FN3O2S and a molecular weight of 379.42 g/mol. Its IUPAC name is [1-[3-(2-fluoro-6-methoxyphenyl)phenyl]imidazol-4-yl]-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[1-[3-(2-fluoro-6-methoxyphenyl)phenyl]imidazol-4-yl]-(1,3-thiazol-2-yl)methanone
PubChem CID16679206
Molecular FormulaC20H14FN3O2S
Molecular Weight379.42 g/mol
Exact Mass379.08
IUPAC Name[1-[3-(2-fluoro-6-methoxyphenyl)phenyl]imidazol-4-yl]-(1,3-thiazol-2-yl)methanone
SMILESCOc1cccc(F)c1-c1cccc(-n2cnc(C(=O)c3nccs3)c2)c1
InChIInChI=1S/C20H14FN3O2S/c1-26-17-7-3-6-15(21)18(17)13-4-2-5-14(10-13)24-11-16(23-12-24)19(25)20-22-8-9-27-20/h2-12H,1H3
InChIKeyJWUXOQVFTUUOQH-UHFFFAOYSA-N
XLogP4.37
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(2-fluoro-6-methoxyphenyl)phenyl]imidazol-4-yl]-(1,3-thiazol-2-yl)methanone?
The IUPAC name of [1-[3-(2-fluoro-6-methoxyphenyl)phenyl]imidazol-4-yl]-(1,3-thiazol-2-yl)methanone (CID 16679206) is [1-[3-(2-fluoro-6-methoxyphenyl)phenyl]imidazol-4-yl]-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [1-[3-(2-fluoro-6-methoxyphenyl)phenyl]imidazol-4-yl]-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for [1-[3-(2-fluoro-6-methoxyphenyl)phenyl]imidazol-4-yl]-(1,3-thiazol-2-yl)methanone is COc1cccc(F)c1-c1cccc(-n2cnc(C(=O)c3nccs3)c2)c1.
What is the InChIKey of [1-[3-(2-fluoro-6-methoxyphenyl)phenyl]imidazol-4-yl]-(1,3-thiazol-2-yl)methanone?
The InChIKey is JWUXOQVFTUUOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2S/c1-26-17-7-3-6-15(21)18(17)13-4-2-5-14(10-13)24-11-16(23-12-24)19(25)20-22-8-9-27-20/h2-12H,1H3.
What are the key properties of [1-[3-(2-fluoro-6-methoxyphenyl)phenyl]imidazol-4-yl]-(1,3-thiazol-2-yl)methanone?
[1-[3-(2-fluoro-6-methoxyphenyl)phenyl]imidazol-4-yl]-(1,3-thiazol-2-yl)methanone has a molecular weight of 379.42 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2-fluoro-6-methoxyphenyl)phenyl]imidazol-4-yl]-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 16679206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).