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

C22H19N3OS2 — CID 9123698

IUPACN-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCc1ccc(-c2nc(NC(=O)Cc3csc(-c4ccccc4)n3)sc2C)cc1
InChIInChI=1S/C22H19N3OS2/c1-14-8-10-16(11-9-14)20-15(2)28-22(25-20)24-19(26)12-18-13-27-21(23-18)17-6-4-3-5-7-17/h3-11,13H,12H2,1-2H3,(H,24,25,26)
InChIKeyAXJHTDBZTATRAR-UHFFFAOYSA-N
MW405.55 g/mol
LogP5.73
Rot. Bonds5

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

N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (PubChem CID 9123698) has the molecular formula C22H19N3OS2 and a molecular weight of 405.55 g/mol. Its IUPAC name is N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
PubChem CID9123698
Molecular FormulaC22H19N3OS2
Molecular Weight405.55 g/mol
Exact Mass405.10
IUPAC NameN-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCc1ccc(-c2nc(NC(=O)Cc3csc(-c4ccccc4)n3)sc2C)cc1
InChIInChI=1S/C22H19N3OS2/c1-14-8-10-16(11-9-14)20-15(2)28-22(25-20)24-19(26)12-18-13-27-21(23-18)17-6-4-3-5-7-17/h3-11,13H,12H2,1-2H3,(H,24,25,26)
InChIKeyAXJHTDBZTATRAR-UHFFFAOYSA-N
XLogP5.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.55
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 19183929
N-(5-methyl-1,3-thiazol-2-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 17455112
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 17249186
2-(2-phenyl-1,3-thiazol-4-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 23610169
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 7541045
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(5-methyl-2-pyridinyl)acetamide
CID 35025092
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 4782945
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
CID 55783007
N-(5-methyl-1,2,4-thiadiazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 155917637
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 6467576
N-(5-phenyl-2-pyridinyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 55952825

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (CID 9123698) is N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is Cc1ccc(-c2nc(NC(=O)Cc3csc(-c4ccccc4)n3)sc2C)cc1.
What is the InChIKey of N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is AXJHTDBZTATRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS2/c1-14-8-10-16(11-9-14)20-15(2)28-22(25-20)24-19(26)12-18-13-27-21(23-18)17-6-4-3-5-7-17/h3-11,13H,12H2,1-2H3,(H,24,25,26).
What are the key properties of N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 405.55 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 9123698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).