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

C21H18N4O2S2 — CID 15945476

IUPAC2-[[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(-c2[nH]c(-c3ccccc3)nc2SCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C21H18N4O2S2/c1-27-16-9-7-14(8-10-16)18-20(25-19(24-18)15-5-3-2-4-6-15)29-13-17(26)23-21-22-11-12-28-21/h2-12H,13H2,1H3,(H,24,25)(H,22,23,26)
InChIKeyCEZDRNXMPNQOFD-UHFFFAOYSA-N
MW422.54 g/mol
LogP4.94
Rot. Bonds7

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

2-[[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 15945476) has the molecular formula C21H18N4O2S2 and a molecular weight of 422.54 g/mol. Its IUPAC name is 2-[[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID15945476
Molecular FormulaC21H18N4O2S2
Molecular Weight422.54 g/mol
Exact Mass422.09
IUPAC Name2-[[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(-c2[nH]c(-c3ccccc3)nc2SCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C21H18N4O2S2/c1-27-16-9-7-14(8-10-16)18-20(25-19(24-18)15-5-3-2-4-6-15)29-13-17(26)23-21-22-11-12-28-21/h2-12H,13H2,1H3,(H,24,25)(H,22,23,26)
InChIKeyCEZDRNXMPNQOFD-UHFFFAOYSA-N
XLogP4.94
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.54
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole
CID 1122713
N-{2-[5-(4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825360
{[(3R)-1-benzylpyrrolidin-3-yl](methyl)sulfamoyl}({2-[5-(4-methoxyphenyl)-2-(thiophen-2-yl)-1H-imidazol-4-yl]ethyl})amine
CID 24825374
4-(2-Methoxyphenyl)-2-(4(5)-methyl-5(4)-imidazolylmethyl)thiazole
CID 3035572
2-(1H-imidazol-5-ylmethyl)-4-(2-methoxyphenyl)-1,3-thiazole
CID 14742546
4-(p-O-Bu)-2[[2-[4-imidazolyl]Et]S]imidazole
CID 23276430
2-{[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]thio}-N-1,3-thiazol-2-ylacetamide
CID 1258567
1-(2-phenylethylamino)-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol
CID 13157407
sodium 2-[4-[2-[[(5-pyridin-2-ylsulfanyl-1,3-thiazol-2-yl)carbamoylamino]methyl]-1H-imidazol-5-yl]phenoxy]acetate
CID 23689011
2-(4-(6-Cyclopropyl-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl)-N-(thiazol-2-yl)acetamide
CID 25151216
N-[5-[6-(4-methoxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide
CID 70684645
2-(4-(2-((3-(5-(Pyridin-2-ylthio)thiazol-2-yl)ureido)methyl)-1H-imidazol-4-yl)phenoxy)acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 15945476) is 2-[[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is COc1ccc(-c2[nH]c(-c3ccccc3)nc2SCC(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-[[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is CEZDRNXMPNQOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S2/c1-27-16-9-7-14(8-10-16)18-20(25-19(24-18)15-5-3-2-4-6-15)29-13-17(26)23-21-22-11-12-28-21/h2-12H,13H2,1H3,(H,24,25)(H,22,23,26).
What are the key properties of 2-[[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 422.54 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 15945476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).