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

C58H64N8O4S2 — CID 123261663

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

(3R)-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylpiperidine-1-carboxamide;(3S)-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylpiperidine-1-carboxamide (PubChem CID 123261663) has the molecular formula C58H64N8O4S2 and a molecular weight of 1001.34 g/mol. Its IUPAC name is (3R)-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylpiperidine-1-carboxamide;(3S)-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylpiperidine-1-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylpiperidine-1-carboxamide;(3S)-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylpiperidine-1-carboxamide
• PubChem CID: 123261663
• Molecular Formula: C58H64N8O4S2
• Molecular Weight: 1001.34 g/mol
• Exact Mass: 1000.45
• IUPAC Name: (3R)-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylpiperidine-1-carboxamide;(3S)-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylpiperidine-1-carboxamide
• SMILES: CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NC(=O)N3CCC[C@@H](C)C3)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NC(=O)N3CCC[C@H](C)C3)s2)cc1C#N
• InChI: InChI=1S/2C29H32N4O2S/c2*1-18(2)35-26-12-9-20(14-21(26)15-30)28-31-16-27(36-28)24-8-4-7-23-22(24)10-11-25(23)32-29(34)33-13-5-6-19(3)17-33/h2*4,7-9,12,14,16,18-19,25H,5-6,10-11,13,17H2,1-3H3,(H,32,34)/t19-,25+;19-,25-/m10/s1
• InChIKey: OVVPVHFRMFJAGB-IRVIWSSTSA-N
• XLogP: 13.13
• TPSA: 156.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1001.34
LogP ≤ 5	13.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of (3R)-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylpiperidine-1-carboxamide;(3S)-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylpiperidine-1-carboxamide (CID 123261663) is (3R)-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylpiperidine-1-carboxamide;(3S)-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylpiperidine-1-carboxamide.

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

The canonical SMILES for (3R)-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylpiperidine-1-carboxamide;(3S)-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylpiperidine-1-carboxamide is CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NC(=O)N3CCC[C@@H](C)C3)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NC(=O)N3CCC[C@H](C)C3)s2)cc1C#N.

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

The InChIKey is OVVPVHFRMFJAGB-IRVIWSSTSA-N. The full InChI is InChI=1S/2C29H32N4O2S/c2*1-18(2)35-26-12-9-20(14-21(26)15-30)28-31-16-27(36-28)24-8-4-7-23-22(24)10-11-25(23)32-29(34)33-13-5-6-19(3)17-33/h2*4,7-9,12,14,16,18-19,25H,5-6,10-11,13,17H2,1-3H3,(H,32,34)/t19-,25+;19-,25-/m10/s1.

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

(3R)-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylpiperidine-1-carboxamide;(3S)-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylpiperidine-1-carboxamide has a molecular weight of 1001.34 g/mol, XLogP of 13.13, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylpiperidine-1-carboxamide;(3S)-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 123261663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).