2-fluoro-N-(2-methoxyethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

C20H19FN2O3S — CID 3170702

IUPAC2-fluoro-N-(2-methoxyethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOCCN(C(=O)c1ccccc1F)c1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C20H19FN2O3S/c1-25-12-11-23(19(24)16-5-3-4-6-17(16)21)20-22-18(13-27-20)14-7-9-15(26-2)10-8-14/h3-10,13H,11-12H2,1-2H3
InChIKeyGPFYXOHMIBCFLM-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.25
Rot. Bonds7

About 2-fluoro-N-(2-methoxyethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

2-fluoro-N-(2-methoxyethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 3170702) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-fluoro-N-(2-methoxyethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methoxyethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID3170702
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC Name2-fluoro-N-(2-methoxyethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOCCN(C(=O)c1ccccc1F)c1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C20H19FN2O3S/c1-25-12-11-23(19(24)16-5-3-4-6-17(16)21)20-22-18(13-27-20)14-7-9-15(26-2)10-8-14/h3-10,13H,11-12H2,1-2H3
InChIKeyGPFYXOHMIBCFLM-UHFFFAOYSA-N
XLogP4.25
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methoxyethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-(2-methoxyethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 3170702) is 2-fluoro-N-(2-methoxyethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-(2-methoxyethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-(2-methoxyethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is COCCN(C(=O)c1ccccc1F)c1nc(-c2ccc(OC)cc2)cs1.
What is the InChIKey of 2-fluoro-N-(2-methoxyethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is GPFYXOHMIBCFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c1-25-12-11-23(19(24)16-5-3-4-6-17(16)21)20-22-18(13-27-20)14-7-9-15(26-2)10-8-14/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 2-fluoro-N-(2-methoxyethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
2-fluoro-N-(2-methoxyethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 386.45 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methoxyethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 3170702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).