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

C21H17FN4O2S2 — CID 2135783

IUPAC2-[[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(-c2[nH]c(-c3ccc(F)cc3)nc2SCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C21H17FN4O2S2/c1-28-16-8-4-13(5-9-16)18-20(30-12-17(27)24-21-23-10-11-29-21)26-19(25-18)14-2-6-15(22)7-3-14/h2-11H,12H2,1H3,(H,25,26)(H,23,24,27)
InChIKeyWGWVQQRYMYMXBN-UHFFFAOYSA-N
MW440.53 g/mol
LogP5.08
Rot. Bonds7

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

2-[[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 2135783) has the molecular formula C21H17FN4O2S2 and a molecular weight of 440.53 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID2135783
Molecular FormulaC21H17FN4O2S2
Molecular Weight440.53 g/mol
Exact Mass440.08
IUPAC Name2-[[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(-c2[nH]c(-c3ccc(F)cc3)nc2SCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C21H17FN4O2S2/c1-28-16-8-4-13(5-9-16)18-20(30-12-17(27)24-21-23-10-11-29-21)26-19(25-18)14-2-6-15(22)7-3-14/h2-11H,12H2,1H3,(H,25,26)(H,23,24,27)
InChIKeyWGWVQQRYMYMXBN-UHFFFAOYSA-N
XLogP5.08
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.53
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-{2-[5-(4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825360
5-[2-[[ethyl-[(3R)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole
CID 24825377
4-[4-(4-Fluoro-phenyl)-2-methylsulfanyl-1H-imidazol-5-yl]-2-(thiophen-2-ylmethoxy)-pyridine
CID 44568254
2-(1H-imidazol-5-ylmethyl)-4-(2-methoxyphenyl)-1,3-thiazole
CID 14742546
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
2-(4-(2-((3-(5-(Pyridin-2-ylthio)thiazol-2-yl)ureido)methyl)-1H-imidazol-4-yl)phenoxy)acetic acid
CID 17758816
2-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]thio]-N-(5-methyl-2-thiazolyl)acetamide
CID 1122641
2-[[5-(4-methoxyphenyl)-2-(4-methylsulfanylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 2135781
4-(4-methoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole
CID 14722781
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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 2135783) is 2-[[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is COc1ccc(-c2[nH]c(-c3ccc(F)cc3)nc2SCC(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is WGWVQQRYMYMXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2S2/c1-28-16-8-4-13(5-9-16)18-20(30-12-17(27)24-21-23-10-11-29-21)26-19(25-18)14-2-6-15(22)7-3-14/h2-11H,12H2,1H3,(H,25,26)(H,23,24,27).
What are the key properties of 2-[[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 440.53 g/mol, XLogP of 5.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2135783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).