N-[(3-fluorophenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methyl]acetamide

C20H17FN2OS — CID 46942590

IUPACN-[(3-fluorophenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methyl]acetamide
SMILESCC(=O)NC(c1cccc(F)c1)c1nc(/C=C/c2ccccc2)cs1
InChIInChI=1S/C20H17FN2OS/c1-14(24)22-19(16-8-5-9-17(21)12-16)20-23-18(13-25-20)11-10-15-6-3-2-4-7-15/h2-13,19H,1H3,(H,22,24)/b11-10+
InChIKeyADLLROOGIYXEMV-ZHACJKMWSA-N
MW352.43 g/mol
LogP4.68
Rot. Bonds5

About N-[(3-fluorophenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methyl]acetamide

N-[(3-fluorophenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methyl]acetamide (PubChem CID 46942590) has the molecular formula C20H17FN2OS and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methyl]acetamide
PubChem CID46942590
Molecular FormulaC20H17FN2OS
Molecular Weight352.43 g/mol
Exact Mass352.10
IUPAC NameN-[(3-fluorophenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methyl]acetamide
SMILESCC(=O)NC(c1cccc(F)c1)c1nc(/C=C/c2ccccc2)cs1
InChIInChI=1S/C20H17FN2OS/c1-14(24)22-19(16-8-5-9-17(21)12-16)20-23-18(13-25-20)11-10-15-6-3-2-4-7-15/h2-13,19H,1H3,(H,22,24)/b11-10+
InChIKeyADLLROOGIYXEMV-ZHACJKMWSA-N
XLogP4.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methyl]acetamide?
The IUPAC name of N-[(3-fluorophenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methyl]acetamide (CID 46942590) is N-[(3-fluorophenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methyl]acetamide.
What is the SMILES notation for N-[(3-fluorophenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methyl]acetamide?
The canonical SMILES for N-[(3-fluorophenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methyl]acetamide is CC(=O)NC(c1cccc(F)c1)c1nc(/C=C/c2ccccc2)cs1.
What is the InChIKey of N-[(3-fluorophenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methyl]acetamide?
The InChIKey is ADLLROOGIYXEMV-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H17FN2OS/c1-14(24)22-19(16-8-5-9-17(21)12-16)20-23-18(13-25-20)11-10-15-6-3-2-4-7-15/h2-13,19H,1H3,(H,22,24)/b11-10+.
What are the key properties of N-[(3-fluorophenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methyl]acetamide?
N-[(3-fluorophenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methyl]acetamide has a molecular weight of 352.43 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methyl]acetamide is sourced from PubChem (CID 46942590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).