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

C28H34N4O2S — CID 123521819

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

N-[4-[2-[3-(methylamino)-4-propan-2-yloxyphenyl]-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide (PubChem CID 123521819) has the molecular formula C28H34N4O2S and a molecular weight of 490.67 g/mol. Its IUPAC name is N-[4-[2-[3-(methylamino)-4-propan-2-yloxyphenyl]-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[3-(methylamino)-4-propan-2-yloxyphenyl]-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide
• PubChem CID: 123521819
• Molecular Formula: C28H34N4O2S
• Molecular Weight: 490.67 g/mol
• Exact Mass: 490.24
• IUPAC Name: N-[4-[2-[3-(methylamino)-4-propan-2-yloxyphenyl]-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide
• SMILES: CNc1cc(-c2ncc(-c3cccc4c3CCC4NC(=O)N3CCCCC3)s2)ccc1OC(C)C
• InChI: InChI=1S/C28H34N4O2S/c1-18(2)34-25-13-10-19(16-24(25)29-3)27-30-17-26(35-27)22-9-7-8-21-20(22)11-12-23(21)31-28(33)32-14-5-4-6-15-32/h7-10,13,16-18,23,29H,4-6,11-12,14-15H2,1-3H3,(H,31,33)
• InChIKey: YZDSXURFTZJTNV-UHFFFAOYSA-N
• XLogP: 6.49
• TPSA: 66.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.67
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[4-[2-[3-(methylamino)-4-propan-2-yloxyphenyl]-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide (CID 123521819) is N-[4-[2-[3-(methylamino)-4-propan-2-yloxyphenyl]-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide.

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

The canonical SMILES for N-[4-[2-[3-(methylamino)-4-propan-2-yloxyphenyl]-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide is CNc1cc(-c2ncc(-c3cccc4c3CCC4NC(=O)N3CCCCC3)s2)ccc1OC(C)C.

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

The InChIKey is YZDSXURFTZJTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2S/c1-18(2)34-25-13-10-19(16-24(25)29-3)27-30-17-26(35-27)22-9-7-8-21-20(22)11-12-23(21)31-28(33)32-14-5-4-6-15-32/h7-10,13,16-18,23,29H,4-6,11-12,14-15H2,1-3H3,(H,31,33).

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

N-[4-[2-[3-(methylamino)-4-propan-2-yloxyphenyl]-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide has a molecular weight of 490.67 g/mol, XLogP of 6.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[3-(methylamino)-4-propan-2-yloxyphenyl]-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 123521819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).