2-methoxy-N-[4-[2-[3-(methylamino)-4-propan-2-yloxyphenyl]-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]acetamide

C25H29N3O3S — CID 123794890

About 2-methoxy-N-[4-[2-[3-(methylamino)-4-propan-2-yloxyphenyl]-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]acetamide

2-methoxy-N-[4-[2-[3-(methylamino)-4-propan-2-yloxyphenyl]-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 123794890) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is 2-methoxy-N-[4-[2-[3-(methylamino)-4-propan-2-yloxyphenyl]-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-methoxy-N-[4-[2-[3-(methylamino)-4-propan-2-yloxyphenyl]-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]acetamide
• PubChem CID: 123794890
• Molecular Formula: C25H29N3O3S
• Molecular Weight: 451.59 g/mol
• Exact Mass: 451.19
• IUPAC Name: 2-methoxy-N-[4-[2-[3-(methylamino)-4-propan-2-yloxyphenyl]-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]acetamide
• SMILES: CNc1cc(-c2ncc(-c3cccc4c3CCC4NC(=O)COC)s2)ccc1OC(C)C
• InChI: InChI=1S/C25H29N3O3S/c1-15(2)31-22-11-8-16(12-21(22)26-3)25-27-13-23(32-25)19-7-5-6-18-17(19)9-10-20(18)28-24(29)14-30-4/h5-8,11-13,15,20,26H,9-10,14H2,1-4H3,(H,28,29)
• InChIKey: SXEFPNVFVIBLFO-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 72.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.59
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-methoxy-N-[4-[2-[3-(methylamino)-4-propan-2-yloxyphenyl]-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]acetamide (CID 123794890) is 2-methoxy-N-[4-[2-[3-(methylamino)-4-propan-2-yloxyphenyl]-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]acetamide.

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

The canonical SMILES for 2-methoxy-N-[4-[2-[3-(methylamino)-4-propan-2-yloxyphenyl]-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]acetamide is CNc1cc(-c2ncc(-c3cccc4c3CCC4NC(=O)COC)s2)ccc1OC(C)C.

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

The InChIKey is SXEFPNVFVIBLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S/c1-15(2)31-22-11-8-16(12-21(22)26-3)25-27-13-23(32-25)19-7-5-6-18-17(19)9-10-20(18)28-24(29)14-30-4/h5-8,11-13,15,20,26H,9-10,14H2,1-4H3,(H,28,29).

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

2-methoxy-N-[4-[2-[3-(methylamino)-4-propan-2-yloxyphenyl]-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 451.59 g/mol, XLogP of 5.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-N-[4-[2-[3-(methylamino)-4-propan-2-yloxyphenyl]-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 123794890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).