2-(3,4-dimethylphenoxy)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide

C19H17FN2O2S — CID 86578417

IUPAC2-(3,4-dimethylphenoxy)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(OCC(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1C
InChIInChI=1S/C19H17FN2O2S/c1-12-6-7-16(8-13(12)2)24-10-18(23)22-19-21-17(11-25-19)14-4-3-5-15(20)9-14/h3-9,11H,10H2,1-2H3,(H,21,22,23)
InChIKeyVBLZMSWRZJLBPP-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.58
Rot. Bonds5

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

2-(3,4-dimethylphenoxy)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 86578417) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID86578417
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC Name2-(3,4-dimethylphenoxy)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(OCC(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1C
InChIInChI=1S/C19H17FN2O2S/c1-12-6-7-16(8-13(12)2)24-10-18(23)22-19-21-17(11-25-19)14-4-3-5-15(20)9-14/h3-9,11H,10H2,1-2H3,(H,21,22,23)
InChIKeyVBLZMSWRZJLBPP-UHFFFAOYSA-N
XLogP4.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide (CID 86578417) is 2-(3,4-dimethylphenoxy)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide is Cc1ccc(OCC(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is VBLZMSWRZJLBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c1-12-6-7-16(8-13(12)2)24-10-18(23)22-19-21-17(11-25-19)14-4-3-5-15(20)9-14/h3-9,11H,10H2,1-2H3,(H,21,22,23).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
2-(3,4-dimethylphenoxy)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 356.42 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 86578417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).