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

C21H21FN2O2S — CID 7518110

IUPACN-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCCc2sc(-c3ccc(F)cc3)nc2C)cc1
InChIInChI=1S/C21H21FN2O2S/c1-14-3-9-18(10-4-14)26-13-20(25)23-12-11-19-15(2)24-21(27-19)16-5-7-17(22)8-6-16/h3-10H,11-13H2,1-2H3,(H,23,25)
InChIKeyAONQKYPBCHDUFX-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.30
Rot. Bonds7

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

N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(4-methylphenoxy)acetamide (PubChem CID 7518110) has the molecular formula C21H21FN2O2S and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(4-methylphenoxy)acetamide
PubChem CID7518110
Molecular FormulaC21H21FN2O2S
Molecular Weight384.48 g/mol
Exact Mass384.13
IUPAC NameN-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCCc2sc(-c3ccc(F)cc3)nc2C)cc1
InChIInChI=1S/C21H21FN2O2S/c1-14-3-9-18(10-4-14)26-13-20(25)23-12-11-19-15(2)24-21(27-19)16-5-7-17(22)8-6-16/h3-10H,11-13H2,1-2H3,(H,23,25)
InChIKeyAONQKYPBCHDUFX-UHFFFAOYSA-N
XLogP4.30
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(4-methylphenoxy)acetamide (CID 7518110) is N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NCCc2sc(-c3ccc(F)cc3)nc2C)cc1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is AONQKYPBCHDUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2S/c1-14-3-9-18(10-4-14)26-13-20(25)23-12-11-19-15(2)24-21(27-19)16-5-7-17(22)8-6-16/h3-10H,11-13H2,1-2H3,(H,23,25).
What are the key properties of N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(4-methylphenoxy)acetamide?
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 384.48 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 7518110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).