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

C23H20N2O2S2 — CID 35271838

IUPAC2-(4-methoxyphenyl)-N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2nc(-c3ccc(-c4ccc(C)cc4)s3)cs2)cc1
InChIInChI=1S/C23H20N2O2S2/c1-15-3-7-17(8-4-15)20-11-12-21(29-20)19-14-28-23(24-19)25-22(26)13-16-5-9-18(27-2)10-6-16/h3-12,14H,13H2,1-2H3,(H,24,25,26)
InChIKeySHPNUERIJBWERE-UHFFFAOYSA-N
MW420.56 g/mol
LogP6.04
Rot. Bonds6

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

2-(4-methoxyphenyl)-N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 35271838) has the molecular formula C23H20N2O2S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID35271838
Molecular FormulaC23H20N2O2S2
Molecular Weight420.56 g/mol
Exact Mass420.10
IUPAC Name2-(4-methoxyphenyl)-N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2nc(-c3ccc(-c4ccc(C)cc4)s3)cs2)cc1
InChIInChI=1S/C23H20N2O2S2/c1-15-3-7-17(8-4-15)20-11-12-21(29-20)19-14-28-23(24-19)25-22(26)13-16-5-9-18(27-2)10-6-16/h3-12,14H,13H2,1-2H3,(H,24,25,26)
InChIKeySHPNUERIJBWERE-UHFFFAOYSA-N
XLogP6.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 8748052
methyl 4-[2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazol-4-yl]benzoate
CID 43951125
N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide
CID 35271808
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8718906
2-(4-methylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 43951124
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 16547912
2-(4-chlorophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 844056
2-(3,4-dimethoxyphenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7831958
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 4263247
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 43951183
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 43951129
2-(4-acetamidophenyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 42008793

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide (CID 35271838) is 2-(4-methoxyphenyl)-N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide is COc1ccc(CC(=O)Nc2nc(-c3ccc(-c4ccc(C)cc4)s3)cs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is SHPNUERIJBWERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S2/c1-15-3-7-17(8-4-15)20-11-12-21(29-20)19-14-28-23(24-19)25-22(26)13-16-5-9-18(27-2)10-6-16/h3-12,14H,13H2,1-2H3,(H,24,25,26).
What are the key properties of 2-(4-methoxyphenyl)-N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide?
2-(4-methoxyphenyl)-N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 420.56 g/mol, XLogP of 6.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 35271838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).