2-[[(1S)-4-[2-(3-amino-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-dimethylacetamide

C25H30N4O2S — CID 89215531

About 2-[[(1S)-4-[2-(3-amino-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-dimethylacetamide

2-[[(1S)-4-[2-(3-amino-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-dimethylacetamide (PubChem CID 89215531) has the molecular formula C25H30N4O2S and a molecular weight of 450.61 g/mol. Its IUPAC name is 2-[[(1S)-4-[2-(3-amino-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[[(1S)-4-[2-(3-amino-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-dimethylacetamide
• PubChem CID: 89215531
• Molecular Formula: C25H30N4O2S
• Molecular Weight: 450.61 g/mol
• Exact Mass: 450.21
• IUPAC Name: 2-[[(1S)-4-[2-(3-amino-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-dimethylacetamide
• SMILES: CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NCC(=O)N(C)C)s2)cc1N
• InChI: InChI=1S/C25H30N4O2S/c1-15(2)31-22-11-8-16(12-20(22)26)25-28-13-23(32-25)19-7-5-6-18-17(19)9-10-21(18)27-14-24(30)29(3)4/h5-8,11-13,15,21,27H,9-10,14,26H2,1-4H3/t21-/m0/s1
• InChIKey: VVHGJPQFFWZVSR-NRFANRHFSA-N
• XLogP: 4.51
• TPSA: 80.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.61
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-4-[2-(3-amino-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-dimethylacetamide?

The IUPAC name of 2-[[(1S)-4-[2-(3-amino-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-dimethylacetamide (CID 89215531) is 2-[[(1S)-4-[2-(3-amino-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-dimethylacetamide.

What is the SMILES notation for 2-[[(1S)-4-[2-(3-amino-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-dimethylacetamide?

The canonical SMILES for 2-[[(1S)-4-[2-(3-amino-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-dimethylacetamide is CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NCC(=O)N(C)C)s2)cc1N.

What is the InChIKey of 2-[[(1S)-4-[2-(3-amino-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-dimethylacetamide?

The InChIKey is VVHGJPQFFWZVSR-NRFANRHFSA-N. The full InChI is InChI=1S/C25H30N4O2S/c1-15(2)31-22-11-8-16(12-20(22)26)25-28-13-23(32-25)19-7-5-6-18-17(19)9-10-21(18)27-14-24(30)29(3)4/h5-8,11-13,15,21,27H,9-10,14,26H2,1-4H3/t21-/m0/s1.

What are the key properties of 2-[[(1S)-4-[2-(3-amino-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-dimethylacetamide?

2-[[(1S)-4-[2-(3-amino-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-dimethylacetamide has a molecular weight of 450.61 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(1S)-4-[2-(3-amino-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 89215531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).