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

C16H19FN2O2S — CID 7518191

IUPAC2-ethoxy-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide
SMILESCCOCC(=O)NCCc1sc(-c2cccc(F)c2)nc1C
InChIInChI=1S/C16H19FN2O2S/c1-3-21-10-15(20)18-8-7-14-11(2)19-16(22-14)12-5-4-6-13(17)9-12/h4-6,9H,3,7-8,10H2,1-2H3,(H,18,20)
InChIKeyJDCYNZMFTIVOTH-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.95
Rot. Bonds7

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

2-ethoxy-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide (PubChem CID 7518191) has the molecular formula C16H19FN2O2S and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide
PubChem CID7518191
Molecular FormulaC16H19FN2O2S
Molecular Weight322.41 g/mol
Exact Mass322.12
IUPAC Name2-ethoxy-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide
SMILESCCOCC(=O)NCCc1sc(-c2cccc(F)c2)nc1C
InChIInChI=1S/C16H19FN2O2S/c1-3-21-10-15(20)18-8-7-14-11(2)19-16(22-14)12-5-4-6-13(17)9-12/h4-6,9H,3,7-8,10H2,1-2H3,(H,18,20)
InChIKeyJDCYNZMFTIVOTH-UHFFFAOYSA-N
XLogP2.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide?
The IUPAC name of 2-ethoxy-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide (CID 7518191) is 2-ethoxy-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide is CCOCC(=O)NCCc1sc(-c2cccc(F)c2)nc1C.
What is the InChIKey of 2-ethoxy-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide?
The InChIKey is JDCYNZMFTIVOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2S/c1-3-21-10-15(20)18-8-7-14-11(2)19-16(22-14)12-5-4-6-13(17)9-12/h4-6,9H,3,7-8,10H2,1-2H3,(H,18,20).
What are the key properties of 2-ethoxy-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide?
2-ethoxy-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide has a molecular weight of 322.41 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 7518191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).