N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-pyridin-3-ylpropanamide

C20H17N5O2S — CID 59683069

About N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-pyridin-3-ylpropanamide

N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-pyridin-3-ylpropanamide (PubChem CID 59683069) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-pyridin-3-ylpropanamide.

Molecular Properties

• Compound Name: N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-pyridin-3-ylpropanamide
• PubChem CID: 59683069
• Molecular Formula: C20H17N5O2S
• Molecular Weight: 391.46 g/mol
• Exact Mass: 391.11
• IUPAC Name: N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-pyridin-3-ylpropanamide
• SMILES: Cc1ccc(-c2nc(NC(=O)CCc3cccnc3)cc(-c3nccs3)n2)o1
• InChI: InChI=1S/C20H17N5O2S/c1-13-4-6-16(27-13)19-23-15(20-22-9-10-28-20)11-17(25-19)24-18(26)7-5-14-3-2-8-21-12-14/h2-4,6,8-12H,5,7H2,1H3,(H,23,24,25,26)
• InChIKey: XQJRLVVUHVPYEK-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 93.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.46
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-pyridin-3-ylpropanamide?

The IUPAC name of N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-pyridin-3-ylpropanamide (CID 59683069) is N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-pyridin-3-ylpropanamide.

What is the SMILES notation for N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-pyridin-3-ylpropanamide?

The canonical SMILES for N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-pyridin-3-ylpropanamide is Cc1ccc(-c2nc(NC(=O)CCc3cccnc3)cc(-c3nccs3)n2)o1.

What is the InChIKey of N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-pyridin-3-ylpropanamide?

The InChIKey is XQJRLVVUHVPYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c1-13-4-6-16(27-13)19-23-15(20-22-9-10-28-20)11-17(25-19)24-18(26)7-5-14-3-2-8-21-12-14/h2-4,6,8-12H,5,7H2,1H3,(H,23,24,25,26).

What are the key properties of N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-pyridin-3-ylpropanamide?

N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-pyridin-3-ylpropanamide has a molecular weight of 391.46 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 59683069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).