N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide

C21H20N2O4S — CID 8918497

IUPACN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1OC
InChIInChI=1S/C21H20N2O4S/c1-13(24)20-19(15-7-5-4-6-8-15)23-21(28-20)22-18(25)12-14-9-10-16(26-2)17(11-14)27-3/h4-11H,12H2,1-3H3,(H,22,23,25)
InChIKeyRUAVDVUKNJVYJT-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.21
Rot. Bonds7

About N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 8918497) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID8918497
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1OC
InChIInChI=1S/C21H20N2O4S/c1-13(24)20-19(15-7-5-4-6-8-15)23-21(28-20)22-18(25)12-14-9-10-16(26-2)17(11-14)27-3/h4-11H,12H2,1-3H3,(H,22,23,25)
InChIKeyRUAVDVUKNJVYJT-UHFFFAOYSA-N
XLogP4.21
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide (CID 8918497) is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1OC.
What is the InChIKey of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is RUAVDVUKNJVYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-13(24)20-19(15-7-5-4-6-8-15)23-21(28-20)22-18(25)12-14-9-10-16(26-2)17(11-14)27-3/h4-11H,12H2,1-3H3,(H,22,23,25).
What are the key properties of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide?
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 396.47 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 8918497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).