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

C28H30N4O3S — CID 53232544

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

N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxypiperidine-1-carboxamide (PubChem CID 53232544) has the molecular formula C28H30N4O3S and a molecular weight of 502.64 g/mol. Its IUPAC name is N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxypiperidine-1-carboxamide
• PubChem CID: 53232544
• Molecular Formula: C28H30N4O3S
• Molecular Weight: 502.64 g/mol
• Exact Mass: 502.20
• IUPAC Name: N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxypiperidine-1-carboxamide
• SMILES: CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NC(=O)N3CCC(O)CC3)s2)cc1C#N
• InChI: InChI=1S/C28H30N4O3S/c1-17(2)35-25-9-6-18(14-19(25)15-29)27-30-16-26(36-27)23-5-3-4-22-21(23)7-8-24(22)31-28(34)32-12-10-20(33)11-13-32/h3-6,9,14,16-17,20,24,33H,7-8,10-13H2,1-2H3,(H,31,34)/t24-/m0/s1
• InChIKey: SLOCOAYDZJUVNM-DEOSSOPVSA-N
• XLogP: 5.29
• TPSA: 98.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.64
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxypiperidine-1-carboxamide (CID 53232544) is N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxypiperidine-1-carboxamide.

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

The canonical SMILES for N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxypiperidine-1-carboxamide is CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NC(=O)N3CCC(O)CC3)s2)cc1C#N.

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

The InChIKey is SLOCOAYDZJUVNM-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H30N4O3S/c1-17(2)35-25-9-6-18(14-19(25)15-29)27-30-16-26(36-27)23-5-3-4-22-21(23)7-8-24(22)31-28(34)32-12-10-20(33)11-13-32/h3-6,9,14,16-17,20,24,33H,7-8,10-13H2,1-2H3,(H,31,34)/t24-/m0/s1.

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

N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxypiperidine-1-carboxamide has a molecular weight of 502.64 g/mol, XLogP of 5.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 53232544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).