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

C20H16N4OS2 — CID 1248586

IUPAC2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1nccs1
InChIInChI=1S/C20H16N4OS2/c25-16(22-19-21-11-12-26-19)13-27-20-23-17(14-7-3-1-4-8-14)18(24-20)15-9-5-2-6-10-15/h1-12H,13H2,(H,23,24)(H,21,22,25)
InChIKeyRKZMGHXRUOHUIG-UHFFFAOYSA-N
MW392.51 g/mol
LogP4.93
Rot. Bonds6

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

2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 1248586) has the molecular formula C20H16N4OS2 and a molecular weight of 392.51 g/mol. Its IUPAC name is 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID1248586
Molecular FormulaC20H16N4OS2
Molecular Weight392.51 g/mol
Exact Mass392.08
IUPAC Name2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1nccs1
InChIInChI=1S/C20H16N4OS2/c25-16(22-19-21-11-12-26-19)13-27-20-23-17(14-7-3-1-4-8-14)18(24-20)15-9-5-2-6-10-15/h1-12H,13H2,(H,23,24)(H,21,22,25)
InChIKeyRKZMGHXRUOHUIG-UHFFFAOYSA-N
XLogP4.93
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 1248586) is 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1nccs1.
What is the InChIKey of 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is RKZMGHXRUOHUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS2/c25-16(22-19-21-11-12-26-19)13-27-20-23-17(14-7-3-1-4-8-14)18(24-20)15-9-5-2-6-10-15/h1-12H,13H2,(H,23,24)(H,21,22,25).
What are the key properties of 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 392.51 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1248586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).