N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide

C23H21N5O2S — CID 90519353

About N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide

N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 90519353) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
• PubChem CID: 90519353
• Molecular Formula: C23H21N5O2S
• Molecular Weight: 431.52 g/mol
• Exact Mass: 431.14
• IUPAC Name: N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
• SMILES: O=C(Nc1nc(-c2ccco2)cs1)C1CCCN(c2cc(-c3ccccc3)ncn2)C1
• InChI: InChI=1S/C23H21N5O2S/c29-22(27-23-26-19(14-31-23)20-9-5-11-30-20)17-8-4-10-28(13-17)21-12-18(24-15-25-21)16-6-2-1-3-7-16/h1-3,5-7,9,11-12,14-15,17H,4,8,10,13H2,(H,26,27,29)
• InChIKey: MNZZRCIZHUZQQN-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 84.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.52
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide?

The IUPAC name of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide (CID 90519353) is N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide.

What is the SMILES notation for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide?

The canonical SMILES for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide is O=C(Nc1nc(-c2ccco2)cs1)C1CCCN(c2cc(-c3ccccc3)ncn2)C1.

What is the InChIKey of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide?

The InChIKey is MNZZRCIZHUZQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S/c29-22(27-23-26-19(14-31-23)20-9-5-11-30-20)17-8-4-10-28(13-17)21-12-18(24-15-25-21)16-6-2-1-3-7-16/h1-3,5-7,9,11-12,14-15,17H,4,8,10,13H2,(H,26,27,29).

What are the key properties of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide?

N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 431.52 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 90519353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).