(3R)-1-[6-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-ethylpiperidine-3-carboxamide

C24H28N6O3S — CID 95182170

About (3R)-1-[6-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-ethylpiperidine-3-carboxamide

(3R)-1-[6-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-ethylpiperidine-3-carboxamide (PubChem CID 95182170) has the molecular formula C24H28N6O3S and a molecular weight of 480.59 g/mol. Its IUPAC name is (3R)-1-[6-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-ethylpiperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-[6-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-ethylpiperidine-3-carboxamide
• PubChem CID: 95182170
• Molecular Formula: C24H28N6O3S
• Molecular Weight: 480.59 g/mol
• Exact Mass: 480.19
• IUPAC Name: (3R)-1-[6-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-ethylpiperidine-3-carboxamide
• SMILES: CCNC(=O)[C@@H]1CCCN(c2nc3ncn(CC(=O)N[C@@H]4CCc5ccccc54)c(=O)c3s2)C1
• InChI: InChI=1S/C24H28N6O3S/c1-2-25-22(32)16-7-5-11-29(12-16)24-28-21-20(34-24)23(33)30(14-26-21)13-19(31)27-18-10-9-15-6-3-4-8-17(15)18/h3-4,6,8,14,16,18H,2,5,7,9-13H2,1H3,(H,25,32)(H,27,31)/t16-,18-/m1/s1
• InChIKey: FNIAUSLCKQCOJO-SJLPKXTDSA-N
• XLogP: 2.01
• TPSA: 109.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.59
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[6-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-ethylpiperidine-3-carboxamide?

The IUPAC name of (3R)-1-[6-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-ethylpiperidine-3-carboxamide (CID 95182170) is (3R)-1-[6-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-ethylpiperidine-3-carboxamide.

What is the SMILES notation for (3R)-1-[6-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-ethylpiperidine-3-carboxamide?

The canonical SMILES for (3R)-1-[6-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-ethylpiperidine-3-carboxamide is CCNC(=O)[C@@H]1CCCN(c2nc3ncn(CC(=O)N[C@@H]4CCc5ccccc54)c(=O)c3s2)C1.

What is the InChIKey of (3R)-1-[6-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-ethylpiperidine-3-carboxamide?

The InChIKey is FNIAUSLCKQCOJO-SJLPKXTDSA-N. The full InChI is InChI=1S/C24H28N6O3S/c1-2-25-22(32)16-7-5-11-29(12-16)24-28-21-20(34-24)23(33)30(14-26-21)13-19(31)27-18-10-9-15-6-3-4-8-17(15)18/h3-4,6,8,14,16,18H,2,5,7,9-13H2,1H3,(H,25,32)(H,27,31)/t16-,18-/m1/s1.

What are the key properties of (3R)-1-[6-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-ethylpiperidine-3-carboxamide?

(3R)-1-[6-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-ethylpiperidine-3-carboxamide has a molecular weight of 480.59 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[6-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-ethylpiperidine-3-carboxamide is sourced from PubChem (CID 95182170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).