N-ethyl-2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide

C22H23FN2O2S — CID 112817351

IUPACN-ethyl-2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
SMILESCCN(CCc1ccccc1)C(=O)c1sc(COc2ccc(F)cc2)nc1C
InChIInChI=1S/C22H23FN2O2S/c1-3-25(14-13-17-7-5-4-6-8-17)22(26)21-16(2)24-20(28-21)15-27-19-11-9-18(23)10-12-19/h4-12H,3,13-15H2,1-2H3
InChIKeyYLLBXGCYGZOZQM-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.87
Rot. Bonds8

About N-ethyl-2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide

N-ethyl-2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 112817351) has the molecular formula C22H23FN2O2S and a molecular weight of 398.50 g/mol. Its IUPAC name is N-ethyl-2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
PubChem CID112817351
Molecular FormulaC22H23FN2O2S
Molecular Weight398.50 g/mol
Exact Mass398.15
IUPAC NameN-ethyl-2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
SMILESCCN(CCc1ccccc1)C(=O)c1sc(COc2ccc(F)cc2)nc1C
InChIInChI=1S/C22H23FN2O2S/c1-3-25(14-13-17-7-5-4-6-8-17)22(26)21-16(2)24-20(28-21)15-27-19-11-9-18(23)10-12-19/h4-12H,3,13-15H2,1-2H3
InChIKeyYLLBXGCYGZOZQM-UHFFFAOYSA-N
XLogP4.87
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-ethyl-2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide (CID 112817351) is N-ethyl-2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-ethyl-2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-ethyl-2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide is CCN(CCc1ccccc1)C(=O)c1sc(COc2ccc(F)cc2)nc1C.
What is the InChIKey of N-ethyl-2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is YLLBXGCYGZOZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2S/c1-3-25(14-13-17-7-5-4-6-8-17)22(26)21-16(2)24-20(28-21)15-27-19-11-9-18(23)10-12-19/h4-12H,3,13-15H2,1-2H3.
What are the key properties of N-ethyl-2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide?
N-ethyl-2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 398.50 g/mol, XLogP of 4.87, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 112817351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).