2-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide

C19H17FN2O2S — CID 2226432

IUPAC2-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C19H17FN2O2S/c1-2-24-17-6-4-3-5-16(17)18(23)22-19-21-12-15(25-19)11-13-7-9-14(20)10-8-13/h3-10,12H,2,11H2,1H3,(H,21,22,23)
InChIKeyUUGVEVNNPXPALJ-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.52
Rot. Bonds6

About 2-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide

2-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 2226432) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID2226432
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC Name2-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C19H17FN2O2S/c1-2-24-17-6-4-3-5-16(17)18(23)22-19-21-12-15(25-19)11-13-7-9-14(20)10-8-13/h3-10,12H,2,11H2,1H3,(H,21,22,23)
InChIKeyUUGVEVNNPXPALJ-UHFFFAOYSA-N
XLogP4.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide (CID 2226432) is 2-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide is CCOc1ccccc1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1.
What is the InChIKey of 2-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is UUGVEVNNPXPALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c1-2-24-17-6-4-3-5-16(17)18(23)22-19-21-12-15(25-19)11-13-7-9-14(20)10-8-13/h3-10,12H,2,11H2,1H3,(H,21,22,23).
What are the key properties of 2-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide?
2-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 356.42 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 2226432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).