[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

C19H26N3OS+ — CID 9174362

About [4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (PubChem CID 9174362) has the molecular formula C19H26N3OS+ and a molecular weight of 344.50 g/mol. Its IUPAC name is [4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.

Molecular Properties

• Compound Name: [4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
• PubChem CID: 9174362
• Molecular Formula: C19H26N3OS+
• Molecular Weight: 344.50 g/mol
• Exact Mass: 344.18
• IUPAC Name: [4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
• SMILES: CC(C)NC(=O)C[NH+](C)Cc1nc(-c2ccc3c(c2)CCC3)cs1
• InChI: InChI=1S/C19H25N3OS/c1-13(2)20-18(23)10-22(3)11-19-21-17(12-24-19)16-8-7-14-5-4-6-15(14)9-16/h7-9,12-13H,4-6,10-11H2,1-3H3,(H,20,23)/p+1
• InChIKey: RVABZMRUFINMPF-UHFFFAOYSA-O
• XLogP: 1.84
• TPSA: 46.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.50
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?

The IUPAC name of [4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (CID 9174362) is [4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.

What is the SMILES notation for [4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?

The canonical SMILES for [4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is CC(C)NC(=O)C[NH+](C)Cc1nc(-c2ccc3c(c2)CCC3)cs1.

What is the InChIKey of [4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?

The InChIKey is RVABZMRUFINMPF-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H25N3OS/c1-13(2)20-18(23)10-22(3)11-19-21-17(12-24-19)16-8-7-14-5-4-6-15(14)9-16/h7-9,12-13H,4-6,10-11H2,1-3H3,(H,20,23)/p+1.

What are the key properties of [4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?

[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium has a molecular weight of 344.50 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is sourced from PubChem (CID 9174362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).