N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-1-pyrimidin-2-ylpiperidine-3-carboxamide

C20H20FN5OS — CID 55575994

About N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 55575994) has the molecular formula C20H20FN5OS and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-1-pyrimidin-2-ylpiperidine-3-carboxamide
• PubChem CID: 55575994
• Molecular Formula: C20H20FN5OS
• Molecular Weight: 397.48 g/mol
• Exact Mass: 397.14
• IUPAC Name: N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-1-pyrimidin-2-ylpiperidine-3-carboxamide
• SMILES: O=C(/N=c1\sccn1Cc1ccccc1F)C1CCCN(c2ncccn2)C1
• InChI: InChI=1S/C20H20FN5OS/c21-17-7-2-1-5-15(17)13-26-11-12-28-20(26)24-18(27)16-6-3-10-25(14-16)19-22-8-4-9-23-19/h1-2,4-5,7-9,11-12,16H,3,6,10,13-14H2/b24-20-
• InChIKey: XBMJGNUENNSYIH-GFMRDNFCSA-N
• XLogP: 2.87
• TPSA: 63.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.48
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-1-pyrimidin-2-ylpiperidine-3-carboxamide?

The IUPAC name of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 55575994) is N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-1-pyrimidin-2-ylpiperidine-3-carboxamide.

What is the SMILES notation for N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-1-pyrimidin-2-ylpiperidine-3-carboxamide?

The canonical SMILES for N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-1-pyrimidin-2-ylpiperidine-3-carboxamide is O=C(/N=c1\sccn1Cc1ccccc1F)C1CCCN(c2ncccn2)C1.

What is the InChIKey of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-1-pyrimidin-2-ylpiperidine-3-carboxamide?

The InChIKey is XBMJGNUENNSYIH-GFMRDNFCSA-N. The full InChI is InChI=1S/C20H20FN5OS/c21-17-7-2-1-5-15(17)13-26-11-12-28-20(26)24-18(27)16-6-3-10-25(14-16)19-22-8-4-9-23-19/h1-2,4-5,7-9,11-12,16H,3,6,10,13-14H2/b24-20-.

What are the key properties of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-1-pyrimidin-2-ylpiperidine-3-carboxamide?

N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 55575994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).