(4-hydroxycyclohexyl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone

C25H30N6O2S — CID 58706505

About (4-hydroxycyclohexyl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone

(4-hydroxycyclohexyl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone (PubChem CID 58706505) has the molecular formula C25H30N6O2S and a molecular weight of 478.62 g/mol. Its IUPAC name is (4-hydroxycyclohexyl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (4-hydroxycyclohexyl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone
• PubChem CID: 58706505
• Molecular Formula: C25H30N6O2S
• Molecular Weight: 478.62 g/mol
• Exact Mass: 478.22
• IUPAC Name: (4-hydroxycyclohexyl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone
• SMILES: Cc1ccnc(Nc2cccc(-c3cnc(N4CCN(C(=O)C5CCC(O)CC5)CC4)s3)n2)c1
• InChI: InChI=1S/C25H30N6O2S/c1-17-9-10-26-23(15-17)29-22-4-2-3-20(28-22)21-16-27-25(34-21)31-13-11-30(12-14-31)24(33)18-5-7-19(32)8-6-18/h2-4,9-10,15-16,18-19,32H,5-8,11-14H2,1H3,(H,26,28,29)
• InChIKey: SRJIXHYVVNGNCF-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 94.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.62
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (4-hydroxycyclohexyl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone?

The IUPAC name of (4-hydroxycyclohexyl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone (CID 58706505) is (4-hydroxycyclohexyl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone.

What is the SMILES notation for (4-hydroxycyclohexyl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone?

The canonical SMILES for (4-hydroxycyclohexyl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone is Cc1ccnc(Nc2cccc(-c3cnc(N4CCN(C(=O)C5CCC(O)CC5)CC4)s3)n2)c1.

What is the InChIKey of (4-hydroxycyclohexyl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone?

The InChIKey is SRJIXHYVVNGNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2S/c1-17-9-10-26-23(15-17)29-22-4-2-3-20(28-22)21-16-27-25(34-21)31-13-11-30(12-14-31)24(33)18-5-7-19(32)8-6-18/h2-4,9-10,15-16,18-19,32H,5-8,11-14H2,1H3,(H,26,28,29).

What are the key properties of (4-hydroxycyclohexyl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone?

(4-hydroxycyclohexyl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone has a molecular weight of 478.62 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4-hydroxycyclohexyl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 58706505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).