N-[4-(furan-2-yl)-5-[2-(oxan-4-yl)acetyl]-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide

C20H20N4O4S — CID 143901525

About N-[4-(furan-2-yl)-5-[2-(oxan-4-yl)acetyl]-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide

N-[4-(furan-2-yl)-5-[2-(oxan-4-yl)acetyl]-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide (PubChem CID 143901525) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-[2-(oxan-4-yl)acetyl]-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-(furan-2-yl)-5-[2-(oxan-4-yl)acetyl]-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide
• PubChem CID: 143901525
• Molecular Formula: C20H20N4O4S
• Molecular Weight: 412.47 g/mol
• Exact Mass: 412.12
• IUPAC Name: N-[4-(furan-2-yl)-5-[2-(oxan-4-yl)acetyl]-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide
• SMILES: Cc1ncc(C(=O)Nc2nc(-c3ccco3)c(C(=O)CC3CCOCC3)s2)cn1
• InChI: InChI=1S/C20H20N4O4S/c1-12-21-10-14(11-22-12)19(26)24-20-23-17(16-3-2-6-28-16)18(29-20)15(25)9-13-4-7-27-8-5-13/h2-3,6,10-11,13H,4-5,7-9H2,1H3,(H,23,24,26)
• InChIKey: YBYRVSAMBZBRBN-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 107.21 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	412.47
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-5-[2-(oxan-4-yl)acetyl]-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide?

The IUPAC name of N-[4-(furan-2-yl)-5-[2-(oxan-4-yl)acetyl]-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide (CID 143901525) is N-[4-(furan-2-yl)-5-[2-(oxan-4-yl)acetyl]-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide.

What is the SMILES notation for N-[4-(furan-2-yl)-5-[2-(oxan-4-yl)acetyl]-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide?

The canonical SMILES for N-[4-(furan-2-yl)-5-[2-(oxan-4-yl)acetyl]-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide is Cc1ncc(C(=O)Nc2nc(-c3ccco3)c(C(=O)CC3CCOCC3)s2)cn1.

What is the InChIKey of N-[4-(furan-2-yl)-5-[2-(oxan-4-yl)acetyl]-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide?

The InChIKey is YBYRVSAMBZBRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-12-21-10-14(11-22-12)19(26)24-20-23-17(16-3-2-6-28-16)18(29-20)15(25)9-13-4-7-27-8-5-13/h2-3,6,10-11,13H,4-5,7-9H2,1H3,(H,23,24,26).

What are the key properties of N-[4-(furan-2-yl)-5-[2-(oxan-4-yl)acetyl]-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide?

N-[4-(furan-2-yl)-5-[2-(oxan-4-yl)acetyl]-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(furan-2-yl)-5-[2-(oxan-4-yl)acetyl]-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 143901525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).