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

C20H15N3O2S2 — CID 1203697

IUPAC2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1nccs1
InChIInChI=1S/C20H15N3O2S2/c24-16(22-19-21-11-12-26-19)13-27-20-23-17(14-7-3-1-4-8-14)18(25-20)15-9-5-2-6-10-15/h1-12H,13H2,(H,21,22,24)
InChIKeyDJUZJFQZNIJOJW-UHFFFAOYSA-N
MW393.49 g/mol
LogP5.20
Rot. Bonds6

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

2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 1203697) has the molecular formula C20H15N3O2S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID1203697
Molecular FormulaC20H15N3O2S2
Molecular Weight393.49 g/mol
Exact Mass393.06
IUPAC Name2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1nccs1
InChIInChI=1S/C20H15N3O2S2/c24-16(22-19-21-11-12-26-19)13-27-20-23-17(14-7-3-1-4-8-14)18(25-20)15-9-5-2-6-10-15/h1-12H,13H2,(H,21,22,24)
InChIKeyDJUZJFQZNIJOJW-UHFFFAOYSA-N
XLogP5.20
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 1203697) is 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1nccs1.
What is the InChIKey of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is DJUZJFQZNIJOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S2/c24-16(22-19-21-11-12-26-19)13-27-20-23-17(14-7-3-1-4-8-14)18(25-20)15-9-5-2-6-10-15/h1-12H,13H2,(H,21,22,24).
What are the key properties of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 393.49 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1203697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).