N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide

C18H14F2N2O2S — CID 1023129

IUPACN-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2nc(-c3ccc(F)cc3F)cs2)cc1
InChIInChI=1S/C18H14F2N2O2S/c1-11-2-5-13(6-3-11)24-9-17(23)22-18-21-16(10-25-18)14-7-4-12(19)8-15(14)20/h2-8,10H,9H2,1H3,(H,21,22,23)
InChIKeyGGZFZPYLZIENHP-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.41
Rot. Bonds5

About N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide

N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide (PubChem CID 1023129) has the molecular formula C18H14F2N2O2S and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide
PubChem CID1023129
Molecular FormulaC18H14F2N2O2S
Molecular Weight360.39 g/mol
Exact Mass360.07
IUPAC NameN-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2nc(-c3ccc(F)cc3F)cs2)cc1
InChIInChI=1S/C18H14F2N2O2S/c1-11-2-5-13(6-3-11)24-9-17(23)22-18-21-16(10-25-18)14-7-4-12(19)8-15(14)20/h2-8,10H,9H2,1H3,(H,21,22,23)
InChIKeyGGZFZPYLZIENHP-UHFFFAOYSA-N
XLogP4.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide (CID 1023129) is N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2nc(-c3ccc(F)cc3F)cs2)cc1.
What is the InChIKey of N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide?
The InChIKey is GGZFZPYLZIENHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O2S/c1-11-2-5-13(6-3-11)24-9-17(23)22-18-21-16(10-25-18)14-7-4-12(19)8-15(14)20/h2-8,10H,9H2,1H3,(H,21,22,23).
What are the key properties of N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide?
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide has a molecular weight of 360.39 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 1023129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).