(2R)-3-[(3R)-3-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propane-1,2-diol

C24H28N6O3S — CID 57463168

About (2R)-3-[(3R)-3-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propane-1,2-diol

(2R)-3-[(3R)-3-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propane-1,2-diol (PubChem CID 57463168) has the molecular formula C24H28N6O3S and a molecular weight of 480.59 g/mol. Its IUPAC name is (2R)-3-[(3R)-3-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propane-1,2-diol.

Molecular Properties

• Compound Name: (2R)-3-[(3R)-3-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propane-1,2-diol
• PubChem CID: 57463168
• Molecular Formula: C24H28N6O3S
• Molecular Weight: 480.59 g/mol
• Exact Mass: 480.19
• IUPAC Name: (2R)-3-[(3R)-3-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propane-1,2-diol
• SMILES: COc1cccc(-c2nc3sccn3c2-c2ccnc(N[C@@H]3CCCN(C[C@@H](O)CO)C3)n2)c1
• InChI: InChI=1S/C24H28N6O3S/c1-33-19-6-2-4-16(12-19)21-22(30-10-11-34-24(30)28-21)20-7-8-25-23(27-20)26-17-5-3-9-29(13-17)14-18(32)15-31/h2,4,6-8,10-12,17-18,31-32H,3,5,9,13-15H2,1H3,(H,25,26,27)/t17-,18-/m1/s1
• InChIKey: SAHPFNPCLNTZIN-QZTJIDSGSA-N
• XLogP: 2.76
• TPSA: 108.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.59
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(3R)-3-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propane-1,2-diol?

The IUPAC name of (2R)-3-[(3R)-3-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propane-1,2-diol (CID 57463168) is (2R)-3-[(3R)-3-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propane-1,2-diol.

What is the SMILES notation for (2R)-3-[(3R)-3-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propane-1,2-diol?

The canonical SMILES for (2R)-3-[(3R)-3-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propane-1,2-diol is COc1cccc(-c2nc3sccn3c2-c2ccnc(N[C@@H]3CCCN(C[C@@H](O)CO)C3)n2)c1.

What is the InChIKey of (2R)-3-[(3R)-3-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propane-1,2-diol?

The InChIKey is SAHPFNPCLNTZIN-QZTJIDSGSA-N. The full InChI is InChI=1S/C24H28N6O3S/c1-33-19-6-2-4-16(12-19)21-22(30-10-11-34-24(30)28-21)20-7-8-25-23(27-20)26-17-5-3-9-29(13-17)14-18(32)15-31/h2,4,6-8,10-12,17-18,31-32H,3,5,9,13-15H2,1H3,(H,25,26,27)/t17-,18-/m1/s1.

What are the key properties of (2R)-3-[(3R)-3-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propane-1,2-diol?

(2R)-3-[(3R)-3-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propane-1,2-diol has a molecular weight of 480.59 g/mol, XLogP of 2.76, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-[(3R)-3-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propane-1,2-diol is sourced from PubChem (CID 57463168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).