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

C20H19FN2OS — CID 78791766

IUPAC2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CN(C)C(=O)Cc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C20H19FN2OS/c1-14-6-3-4-7-16(14)12-23(2)19(24)11-18-13-25-20(22-18)15-8-5-9-17(21)10-15/h3-10,13H,11-12H2,1-2H3
InChIKeySDMJQDSZSDWSPC-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.46
Rot. Bonds5

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

2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 78791766) has the molecular formula C20H19FN2OS and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
PubChem CID78791766
Molecular FormulaC20H19FN2OS
Molecular Weight354.45 g/mol
Exact Mass354.12
IUPAC Name2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CN(C)C(=O)Cc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C20H19FN2OS/c1-14-6-3-4-7-16(14)12-23(2)19(24)11-18-13-25-20(22-18)15-8-5-9-17(21)10-15/h3-10,13H,11-12H2,1-2H3
InChIKeySDMJQDSZSDWSPC-UHFFFAOYSA-N
XLogP4.46
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide (CID 78791766) is 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide is Cc1ccccc1CN(C)C(=O)Cc1csc(-c2cccc(F)c2)n1.
What is the InChIKey of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is SDMJQDSZSDWSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2OS/c1-14-6-3-4-7-16(14)12-23(2)19(24)11-18-13-25-20(22-18)15-8-5-9-17(21)10-15/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 78791766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).