2-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide

C20H20N2OS — CID 4800651

IUPAC2-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(C)c(-c2csc(NC(=O)Cc3ccccc3)n2)c(C)c1
InChIInChI=1S/C20H20N2OS/c1-13-9-14(2)19(15(3)10-13)17-12-24-20(21-17)22-18(23)11-16-7-5-4-6-8-16/h4-10,12H,11H2,1-3H3,(H,21,22,23)
InChIKeyCUXYLEXKVRILJI-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.92
Rot. Bonds4

About 2-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide

2-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 4800651) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID4800651
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC Name2-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(C)c(-c2csc(NC(=O)Cc3ccccc3)n2)c(C)c1
InChIInChI=1S/C20H20N2OS/c1-13-9-14(2)19(15(3)10-13)17-12-24-20(21-17)22-18(23)11-16-7-5-4-6-8-16/h4-10,12H,11H2,1-3H3,(H,21,22,23)
InChIKeyCUXYLEXKVRILJI-UHFFFAOYSA-N
XLogP4.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide (CID 4800651) is 2-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide is Cc1cc(C)c(-c2csc(NC(=O)Cc3ccccc3)n2)c(C)c1.
What is the InChIKey of 2-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is CUXYLEXKVRILJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-13-9-14(2)19(15(3)10-13)17-12-24-20(21-17)22-18(23)11-16-7-5-4-6-8-16/h4-10,12H,11H2,1-3H3,(H,21,22,23).
What are the key properties of 2-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide?
2-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 336.46 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 4800651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).