2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide

C22H18N4O3S2 — CID 2430921

IUPAC2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)N1CC(=O)N=C1SCC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C22H18N4O3S2/c1-14(27)26-12-17(28)24-22(26)30-13-18(29)23-21-25-19(15-8-4-2-5-9-15)20(31-21)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,23,25,29)
InChIKeyHBQHPKOIOXLHHD-UHFFFAOYSA-N
MW450.55 g/mol
LogP3.89
Rot. Bonds5

About 2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide

2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 2430921) has the molecular formula C22H18N4O3S2 and a molecular weight of 450.55 g/mol. Its IUPAC name is 2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide
PubChem CID2430921
Molecular FormulaC22H18N4O3S2
Molecular Weight450.55 g/mol
Exact Mass450.08
IUPAC Name2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)N1CC(=O)N=C1SCC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C22H18N4O3S2/c1-14(27)26-12-17(28)24-22(26)30-13-18(29)23-21-25-19(15-8-4-2-5-9-15)20(31-21)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,23,25,29)
InChIKeyHBQHPKOIOXLHHD-UHFFFAOYSA-N
XLogP3.89
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide (CID 2430921) is 2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide is CC(=O)N1CC(=O)N=C1SCC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1.
What is the InChIKey of 2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is HBQHPKOIOXLHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S2/c1-14(27)26-12-17(28)24-22(26)30-13-18(29)23-21-25-19(15-8-4-2-5-9-15)20(31-21)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,23,25,29).
What are the key properties of 2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide?
2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 450.55 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2430921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).