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

C22H20N4O2S2 — CID 2135779

IUPAC2-[[5-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(-c2[nH]c(-c3ccc(C)cc3)nc2SCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C22H20N4O2S2/c1-14-3-5-16(6-4-14)20-25-19(15-7-9-17(28-2)10-8-15)21(26-20)30-13-18(27)24-22-23-11-12-29-22/h3-12H,13H2,1-2H3,(H,25,26)(H,23,24,27)
InChIKeyCWIBXZXADGPYFT-UHFFFAOYSA-N
MW436.56 g/mol
LogP5.25
Rot. Bonds7

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

2-[[5-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 2135779) has the molecular formula C22H20N4O2S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-[[5-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID2135779
Molecular FormulaC22H20N4O2S2
Molecular Weight436.56 g/mol
Exact Mass436.10
IUPAC Name2-[[5-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(-c2[nH]c(-c3ccc(C)cc3)nc2SCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C22H20N4O2S2/c1-14-3-5-16(6-4-14)20-25-19(15-7-9-17(28-2)10-8-15)21(26-20)30-13-18(27)24-22-23-11-12-29-22/h3-12H,13H2,1-2H3,(H,25,26)(H,23,24,27)
InChIKeyCWIBXZXADGPYFT-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[[5-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 2135779) is 2-[[5-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[5-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[[5-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is COc1ccc(-c2[nH]c(-c3ccc(C)cc3)nc2SCC(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-[[5-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is CWIBXZXADGPYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S2/c1-14-3-5-16(6-4-14)20-25-19(15-7-9-17(28-2)10-8-15)21(26-20)30-13-18(27)24-22-23-11-12-29-22/h3-12H,13H2,1-2H3,(H,25,26)(H,23,24,27).
What are the key properties of 2-[[5-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[[5-(4-methoxyphenyl)-2-(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-[[5-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2135779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).