5-amino-2-(2,6-difluorophenyl)-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide;ethane

C24H32F2N6O2S — CID 145420311

About 5-amino-2-(2,6-difluorophenyl)-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide;ethane

5-amino-2-(2,6-difluorophenyl)-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide;ethane (PubChem CID 145420311) has the molecular formula C24H32F2N6O2S and a molecular weight of 506.62 g/mol. Its IUPAC name is 5-amino-2-(2,6-difluorophenyl)-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide;ethane.

Molecular Properties

• Compound Name: 5-amino-2-(2,6-difluorophenyl)-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide;ethane
• PubChem CID: 145420311
• Molecular Formula: C24H32F2N6O2S
• Molecular Weight: 506.62 g/mol
• Exact Mass: 506.23
• IUPAC Name: 5-amino-2-(2,6-difluorophenyl)-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide;ethane
• SMILES: CC.CC.Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cncnc1OCC1CCNCC1
• InChI: InChI=1S/C20H20F2N6O2S.2C2H6/c21-12-2-1-3-13(22)15(12)20-28-16(17(23)31-20)18(29)27-14-8-25-10-26-19(14)30-9-11-4-6-24-7-5-11;2*1-2/h1-3,8,10-11,24H,4-7,9,23H2,(H,27,29);2*1-2H3
• InChIKey: FOUDULDJIOIQJP-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 115.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.62
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,6-difluorophenyl)-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide;ethane?

The IUPAC name of 5-amino-2-(2,6-difluorophenyl)-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide;ethane (CID 145420311) is 5-amino-2-(2,6-difluorophenyl)-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide;ethane.

What is the SMILES notation for 5-amino-2-(2,6-difluorophenyl)-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide;ethane?

The canonical SMILES for 5-amino-2-(2,6-difluorophenyl)-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide;ethane is CC.CC.Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cncnc1OCC1CCNCC1.

What is the InChIKey of 5-amino-2-(2,6-difluorophenyl)-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide;ethane?

The InChIKey is FOUDULDJIOIQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N6O2S.2C2H6/c21-12-2-1-3-13(22)15(12)20-28-16(17(23)31-20)18(29)27-14-8-25-10-26-19(14)30-9-11-4-6-24-7-5-11;2*1-2/h1-3,8,10-11,24H,4-7,9,23H2,(H,27,29);2*1-2H3.

What are the key properties of 5-amino-2-(2,6-difluorophenyl)-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide;ethane?

5-amino-2-(2,6-difluorophenyl)-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide;ethane has a molecular weight of 506.62 g/mol, XLogP of 5.14, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-2-(2,6-difluorophenyl)-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide;ethane is sourced from PubChem (CID 145420311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).