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

C22H20N4O2S3 — CID 2135781

IUPAC2-[[5-(4-methoxyphenyl)-2-(4-methylsulfanylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(-c2[nH]c(-c3ccc(SC)cc3)nc2SCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C22H20N4O2S3/c1-28-16-7-3-14(4-8-16)19-21(31-13-18(27)24-22-23-11-12-30-22)26-20(25-19)15-5-9-17(29-2)10-6-15/h3-12H,13H2,1-2H3,(H,25,26)(H,23,24,27)
InChIKeyDOMCPMYAFKEXJB-UHFFFAOYSA-N
MW468.63 g/mol
LogP5.66
Rot. Bonds8

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

2-[[5-(4-methoxyphenyl)-2-(4-methylsulfanylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 2135781) has the molecular formula C22H20N4O2S3 and a molecular weight of 468.63 g/mol. Its IUPAC name is 2-[[5-(4-methoxyphenyl)-2-(4-methylsulfanylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-methoxyphenyl)-2-(4-methylsulfanylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID2135781
Molecular FormulaC22H20N4O2S3
Molecular Weight468.63 g/mol
Exact Mass468.07
IUPAC Name2-[[5-(4-methoxyphenyl)-2-(4-methylsulfanylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(-c2[nH]c(-c3ccc(SC)cc3)nc2SCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C22H20N4O2S3/c1-28-16-7-3-14(4-8-16)19-21(31-13-18(27)24-22-23-11-12-30-22)26-20(25-19)15-5-9-17(29-2)10-6-15/h3-12H,13H2,1-2H3,(H,25,26)(H,23,24,27)
InChIKeyDOMCPMYAFKEXJB-UHFFFAOYSA-N
XLogP5.66
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.63
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-methoxyphenyl)-2-(4-methylsulfanylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[[5-(4-methoxyphenyl)-2-(4-methylsulfanylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 2135781) is 2-[[5-(4-methoxyphenyl)-2-(4-methylsulfanylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[5-(4-methoxyphenyl)-2-(4-methylsulfanylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[[5-(4-methoxyphenyl)-2-(4-methylsulfanylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is COc1ccc(-c2[nH]c(-c3ccc(SC)cc3)nc2SCC(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-[[5-(4-methoxyphenyl)-2-(4-methylsulfanylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is DOMCPMYAFKEXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S3/c1-28-16-7-3-14(4-8-16)19-21(31-13-18(27)24-22-23-11-12-30-22)26-20(25-19)15-5-9-17(29-2)10-6-15/h3-12H,13H2,1-2H3,(H,25,26)(H,23,24,27).
What are the key properties of 2-[[5-(4-methoxyphenyl)-2-(4-methylsulfanylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[[5-(4-methoxyphenyl)-2-(4-methylsulfanylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 468.63 g/mol, XLogP of 5.66, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-methoxyphenyl)-2-(4-methylsulfanylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2135781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).