N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide

C23H20N4O2S2 — CID 30391544

About N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide

N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide (PubChem CID 30391544) has the molecular formula C23H20N4O2S2 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide.

Molecular Properties

• Compound Name: N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
• PubChem CID: 30391544
• Molecular Formula: C23H20N4O2S2
• Molecular Weight: 448.57 g/mol
• Exact Mass: 448.10
• IUPAC Name: N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
• SMILES: Cc1noc(CSc2ccccc2C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)n1
• InChI: InChI=1S/C23H20N4O2S2/c1-14-24-21(29-27-14)13-30-20-8-3-2-7-18(20)22(28)26-23-25-19(12-31-23)17-10-9-15-5-4-6-16(15)11-17/h2-3,7-12H,4-6,13H2,1H3,(H,25,26,28)
• InChIKey: UPCOURVVXJGXBD-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 80.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.57
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide?

The IUPAC name of N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide (CID 30391544) is N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide.

What is the SMILES notation for N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide?

The canonical SMILES for N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide is Cc1noc(CSc2ccccc2C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)n1.

What is the InChIKey of N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide?

The InChIKey is UPCOURVVXJGXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S2/c1-14-24-21(29-27-14)13-30-20-8-3-2-7-18(20)22(28)26-23-25-19(12-31-23)17-10-9-15-5-4-6-16(15)11-17/h2-3,7-12H,4-6,13H2,1H3,(H,25,26,28).

What are the key properties of N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide?

N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide has a molecular weight of 448.57 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide is sourced from PubChem (CID 30391544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).