(1-propan-2-ylsulfonylindol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone

C20H19N3O3S2 — CID 67809611

About (1-propan-2-ylsulfonylindol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone

(1-propan-2-ylsulfonylindol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone (PubChem CID 67809611) has the molecular formula C20H19N3O3S2 and a molecular weight of 413.52 g/mol. Its IUPAC name is (1-propan-2-ylsulfonylindol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone.

Molecular Properties

• Compound Name: (1-propan-2-ylsulfonylindol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone
• PubChem CID: 67809611
• Molecular Formula: C20H19N3O3S2
• Molecular Weight: 413.52 g/mol
• Exact Mass: 413.09
• IUPAC Name: (1-propan-2-ylsulfonylindol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone
• SMILES: CC(C)S(=O)(=O)n1cc(C(=O)C2=CSC(c3cccnc3)N2)c2ccccc21
• InChI: InChI=1S/C20H19N3O3S2/c1-13(2)28(25,26)23-11-16(15-7-3-4-8-18(15)23)19(24)17-12-27-20(22-17)14-6-5-9-21-10-14/h3-13,20,22H,1-2H3
• InChIKey: WBHZPDOKEGFDTA-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 81.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.52
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylsulfonylindol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone?

The IUPAC name of (1-propan-2-ylsulfonylindol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone (CID 67809611) is (1-propan-2-ylsulfonylindol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone.

What is the SMILES notation for (1-propan-2-ylsulfonylindol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone?

The canonical SMILES for (1-propan-2-ylsulfonylindol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone is CC(C)S(=O)(=O)n1cc(C(=O)C2=CSC(c3cccnc3)N2)c2ccccc21.

What is the InChIKey of (1-propan-2-ylsulfonylindol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone?

The InChIKey is WBHZPDOKEGFDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S2/c1-13(2)28(25,26)23-11-16(15-7-3-4-8-18(15)23)19(24)17-12-27-20(22-17)14-6-5-9-21-10-14/h3-13,20,22H,1-2H3.

What are the key properties of (1-propan-2-ylsulfonylindol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone?

(1-propan-2-ylsulfonylindol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone has a molecular weight of 413.52 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1-propan-2-ylsulfonylindol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 67809611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).