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

C22H20N4O2S2 — CID 20852014

IUPAC2-[[2-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1cccc(-c2nc(SCC(=O)Nc3nccs3)c(-c3ccc(C)cc3)[nH]2)c1
InChIInChI=1S/C22H20N4O2S2/c1-14-6-8-15(9-7-14)19-21(30-13-18(27)24-22-23-10-11-29-22)26-20(25-19)16-4-3-5-17(12-16)28-2/h3-12H,13H2,1-2H3,(H,25,26)(H,23,24,27)
InChIKeyOHKZSVPEVWVPDV-UHFFFAOYSA-N
MW436.56 g/mol
LogP5.25
Rot. Bonds7

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

2-[[2-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 20852014) has the molecular formula C22H20N4O2S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-[[2-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[2-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID20852014
Molecular FormulaC22H20N4O2S2
Molecular Weight436.56 g/mol
Exact Mass436.10
IUPAC Name2-[[2-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1cccc(-c2nc(SCC(=O)Nc3nccs3)c(-c3ccc(C)cc3)[nH]2)c1
InChIInChI=1S/C22H20N4O2S2/c1-14-6-8-15(9-7-14)19-21(30-13-18(27)24-22-23-10-11-29-22)26-20(25-19)16-4-3-5-17(12-16)28-2/h3-12H,13H2,1-2H3,(H,25,26)(H,23,24,27)
InChIKeyOHKZSVPEVWVPDV-UHFFFAOYSA-N
XLogP5.25
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-{3-[(1-Benzyl-1h-1,2,3-Triazol-4-Yl)methoxy]benzyl}-1,3-Thiazol-2-Yl)-2-[(4,6-Dimethylpyrimidin-2-Yl)sulfanyl]acetamide
CID 112499922
2-(1H-imidazol-5-ylmethyl)-4-(2-methoxyphenyl)-1,3-thiazole
CID 14742546
N-Cyclopentyl-2-{[2-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-YL]sulfanyl}acetamide
CID 15990540
2-[[5-(4-methoxyphenyl)-2-(4-methylsulfanylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 2135781
4-(3-methoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole
CID 14742534
4-(1-methoxynaphthalen-2-yl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole
CID 14742541
2-{[2-(4-Chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-YL]sulfanyl}-N-(1,3-thiazol-2-YL)acetamide
CID 15945475
2-{[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]thio}-N-1,3-thiazol-2-ylacetamide
CID 15945476
N-[(3-methoxyphenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
CID 44522328
[(3R)-3-[[4-[2-(3-methoxyphenyl)-4-methylimidazol-1-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone
CID 164612776
N-cyclopentyl-2-((2-(3-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl)thio)acetamide
CID 15990536
2-{[5-(4-Methoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-YL]sulfanyl}-N-(1,3-thiazol-2-YL)acetamide
CID 2135779

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[[2-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 20852014) is 2-[[2-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[2-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[[2-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is COc1cccc(-c2nc(SCC(=O)Nc3nccs3)c(-c3ccc(C)cc3)[nH]2)c1.
What is the InChIKey of 2-[[2-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is OHKZSVPEVWVPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S2/c1-14-6-8-15(9-7-14)19-21(30-13-18(27)24-22-23-10-11-29-22)26-20(25-19)16-4-3-5-17(12-16)28-2/h3-12H,13H2,1-2H3,(H,25,26)(H,23,24,27).
What are the key properties of 2-[[2-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[[2-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 436.56 g/mol, XLogP of 5.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 20852014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).