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

C24H20N2OS — CID 8963676

IUPACN-(2-methylphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccccc1NC(=O)Cc1nc(-c2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C24H20N2OS/c1-17-7-5-6-10-21(17)25-23(27)15-24-26-22(16-28-24)20-13-11-19(12-14-20)18-8-3-2-4-9-18/h2-14,16H,15H2,1H3,(H,25,27)
InChIKeyVGNRHTMCIXMKAA-UHFFFAOYSA-N
MW384.50 g/mol
LogP5.97
Rot. Bonds5

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

N-(2-methylphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 8963676) has the molecular formula C24H20N2OS and a molecular weight of 384.50 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID8963676
Molecular FormulaC24H20N2OS
Molecular Weight384.50 g/mol
Exact Mass384.13
IUPAC NameN-(2-methylphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccccc1NC(=O)Cc1nc(-c2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C24H20N2OS/c1-17-7-5-6-10-21(17)25-23(27)15-24-26-22(16-28-24)20-13-11-19(12-14-20)18-8-3-2-4-9-18/h2-14,16H,15H2,1H3,(H,25,27)
InChIKeyVGNRHTMCIXMKAA-UHFFFAOYSA-N
XLogP5.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide (CID 8963676) is N-(2-methylphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide is Cc1ccccc1NC(=O)Cc1nc(-c2ccc(-c3ccccc3)cc2)cs1.
What is the InChIKey of N-(2-methylphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is VGNRHTMCIXMKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2OS/c1-17-7-5-6-10-21(17)25-23(27)15-24-26-22(16-28-24)20-13-11-19(12-14-20)18-8-3-2-4-9-18/h2-14,16H,15H2,1H3,(H,25,27).
What are the key properties of N-(2-methylphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide?
N-(2-methylphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 384.50 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 8963676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).