2,3-dihydro-1H-inden-5-yl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone

C19H23N3OS — CID 38470789

About 2,3-dihydro-1H-inden-5-yl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone

2,3-dihydro-1H-inden-5-yl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone (PubChem CID 38470789) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: 2,3-dihydro-1H-inden-5-yl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
• PubChem CID: 38470789
• Molecular Formula: C19H23N3OS
• Molecular Weight: 341.48 g/mol
• Exact Mass: 341.16
• IUPAC Name: 2,3-dihydro-1H-inden-5-yl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
• SMILES: Cc1nc(CN2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)cs1
• InChI: InChI=1S/C19H23N3OS/c1-14-20-18(13-24-14)12-21-7-9-22(10-8-21)19(23)17-6-5-15-3-2-4-16(15)11-17/h5-6,11,13H,2-4,7-10,12H2,1H3
• InChIKey: CZYHXOCVBIBAOA-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 36.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.48
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2,3-dihydro-1H-inden-5-yl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone (CID 38470789) is 2,3-dihydro-1H-inden-5-yl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone.

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

The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone is Cc1nc(CN2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)cs1.

What is the InChIKey of 2,3-dihydro-1H-inden-5-yl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?

The InChIKey is CZYHXOCVBIBAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-14-20-18(13-24-14)12-21-7-9-22(10-8-21)19(23)17-6-5-15-3-2-4-16(15)11-17/h5-6,11,13H,2-4,7-10,12H2,1H3.

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

2,3-dihydro-1H-inden-5-yl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 341.48 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydro-1H-inden-5-yl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 38470789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).