ethane;[4-[2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone

C29H34N6OS — CID 143286696

About ethane;[4-[2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone

ethane;[4-[2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 143286696) has the molecular formula C29H34N6OS and a molecular weight of 514.70 g/mol. Its IUPAC name is ethane;[4-[2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

• Compound Name: ethane;[4-[2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
• PubChem CID: 143286696
• Molecular Formula: C29H34N6OS
• Molecular Weight: 514.70 g/mol
• Exact Mass: 514.25
• IUPAC Name: ethane;[4-[2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
• SMILES: CC.Cc1ccnc(Nc2cccc(-c3cnc(CCC4CCN(C(=O)c5ccncc5)CC4)s3)n2)c1
• InChI: InChI=1S/C27H28N6OS.C2H6/c1-19-7-14-29-25(17-19)32-24-4-2-3-22(31-24)23-18-30-26(35-23)6-5-20-10-15-33(16-11-20)27(34)21-8-12-28-13-9-21;1-2/h2-4,7-9,12-14,17-18,20H,5-6,10-11,15-16H2,1H3,(H,29,31,32);1-2H3
• InChIKey: PSWBYPFWVXNUFZ-UHFFFAOYSA-N
• XLogP: 6.56
• TPSA: 83.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.70
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethane;[4-[2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone?

The IUPAC name of ethane;[4-[2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone (CID 143286696) is ethane;[4-[2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone.

What is the SMILES notation for ethane;[4-[2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone?

The canonical SMILES for ethane;[4-[2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone is CC.Cc1ccnc(Nc2cccc(-c3cnc(CCC4CCN(C(=O)c5ccncc5)CC4)s3)n2)c1.

What is the InChIKey of ethane;[4-[2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone?

The InChIKey is PSWBYPFWVXNUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6OS.C2H6/c1-19-7-14-29-25(17-19)32-24-4-2-3-22(31-24)23-18-30-26(35-23)6-5-20-10-15-33(16-11-20)27(34)21-8-12-28-13-9-21;1-2/h2-4,7-9,12-14,17-18,20H,5-6,10-11,15-16H2,1H3,(H,29,31,32);1-2H3.

What are the key properties of ethane;[4-[2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone?

ethane;[4-[2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 514.70 g/mol, XLogP of 6.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;[4-[2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 143286696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).