N-(3-methoxyphenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide

C25H22N2O2S — CID 2533231

IUPACN-(3-methoxyphenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide
SMILESCOc1cccc(NC(=O)Cc2nc(-c3ccccc3)sc2-c2ccc(C)cc2)c1
InChIInChI=1S/C25H22N2O2S/c1-17-11-13-18(14-12-17)24-22(27-25(30-24)19-7-4-3-5-8-19)16-23(28)26-20-9-6-10-21(15-20)29-2/h3-15H,16H2,1-2H3,(H,26,28)
InChIKeyVZACJKLXQJTVFJ-UHFFFAOYSA-N
MW414.53 g/mol
LogP5.98
Rot. Bonds6

About N-(3-methoxyphenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide

N-(3-methoxyphenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide (PubChem CID 2533231) has the molecular formula C25H22N2O2S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide
PubChem CID2533231
Molecular FormulaC25H22N2O2S
Molecular Weight414.53 g/mol
Exact Mass414.14
IUPAC NameN-(3-methoxyphenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide
SMILESCOc1cccc(NC(=O)Cc2nc(-c3ccccc3)sc2-c2ccc(C)cc2)c1
InChIInChI=1S/C25H22N2O2S/c1-17-11-13-18(14-12-17)24-22(27-25(30-24)19-7-4-3-5-8-19)16-23(28)26-20-9-6-10-21(15-20)29-2/h3-15H,16H2,1-2H3,(H,26,28)
InChIKeyVZACJKLXQJTVFJ-UHFFFAOYSA-N
XLogP5.98
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.53
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide (CID 2533231) is N-(3-methoxyphenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide is COc1cccc(NC(=O)Cc2nc(-c3ccccc3)sc2-c2ccc(C)cc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide?
The InChIKey is VZACJKLXQJTVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2S/c1-17-11-13-18(14-12-17)24-22(27-25(30-24)19-7-4-3-5-8-19)16-23(28)26-20-9-6-10-21(15-20)29-2/h3-15H,16H2,1-2H3,(H,26,28).
What are the key properties of N-(3-methoxyphenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide?
N-(3-methoxyphenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide has a molecular weight of 414.53 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 2533231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).