5-[2-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole

C19H20N2S2 — CID 140665742

About 5-[2-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole

5-[2-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole (PubChem CID 140665742) has the molecular formula C19H20N2S2 and a molecular weight of 340.52 g/mol. Its IUPAC name is 5-[2-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole.

Molecular Properties

• Compound Name: 5-[2-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole
• PubChem CID: 140665742
• Molecular Formula: C19H20N2S2
• Molecular Weight: 340.52 g/mol
• Exact Mass: 340.11
• IUPAC Name: 5-[2-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole
• SMILES: Cc1nc(C)c(-c2csc(CCC3Cc4ccccc4C3)n2)s1
• InChI: InChI=1S/C19H20N2S2/c1-12-19(23-13(2)20-12)17-11-22-18(21-17)8-7-14-9-15-5-3-4-6-16(15)10-14/h3-6,11,14H,7-10H2,1-2H3
• InChIKey: WFWDIDJUWUZCES-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 25.78 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	340.52
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole?

The IUPAC name of 5-[2-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole (CID 140665742) is 5-[2-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole.

What is the SMILES notation for 5-[2-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole?

The canonical SMILES for 5-[2-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole is Cc1nc(C)c(-c2csc(CCC3Cc4ccccc4C3)n2)s1.

What is the InChIKey of 5-[2-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole?

The InChIKey is WFWDIDJUWUZCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2S2/c1-12-19(23-13(2)20-12)17-11-22-18(21-17)8-7-14-9-15-5-3-4-6-16(15)10-14/h3-6,11,14H,7-10H2,1-2H3.

What are the key properties of 5-[2-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole?

5-[2-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole has a molecular weight of 340.52 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 140665742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).