4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C20H23N5O3S — CID 55818753

About 4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 55818753) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is 4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 55818753
• Molecular Formula: C20H23N5O3S
• Molecular Weight: 413.50 g/mol
• Exact Mass: 413.15
• IUPAC Name: 4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
• SMILES: Cc1ccc(C(CNC(=O)c2sc(-c3ncccn3)nc2C)N2CCOCC2)o1
• InChI: InChI=1S/C20H23N5O3S/c1-13-4-5-16(28-13)15(25-8-10-27-11-9-25)12-23-19(26)17-14(2)24-20(29-17)18-21-6-3-7-22-18/h3-7,15H,8-12H2,1-2H3,(H,23,26)
• InChIKey: AUAQTDSOPWKNOA-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 93.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.50
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?

The IUPAC name of 4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 55818753) is 4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?

The canonical SMILES for 4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is Cc1ccc(C(CNC(=O)c2sc(-c3ncccn3)nc2C)N2CCOCC2)o1.

What is the InChIKey of 4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?

The InChIKey is AUAQTDSOPWKNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-13-4-5-16(28-13)15(25-8-10-27-11-9-25)12-23-19(26)17-14(2)24-20(29-17)18-21-6-3-7-22-18/h3-7,15H,8-12H2,1-2H3,(H,23,26).

What are the key properties of 4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?

4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55818753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).