2-methyl-N-[4-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide

C20H22N6O3S — CID 55803931

About 2-methyl-N-[4-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide

2-methyl-N-[4-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide (PubChem CID 55803931) has the molecular formula C20H22N6O3S and a molecular weight of 426.50 g/mol. Its IUPAC name is 2-methyl-N-[4-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[4-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
• PubChem CID: 55803931
• Molecular Formula: C20H22N6O3S
• Molecular Weight: 426.50 g/mol
• Exact Mass: 426.15
• IUPAC Name: 2-methyl-N-[4-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
• SMILES: Cc1occc1C(=O)Nc1nc(CC(=O)NC2CCCN(c3ncccn3)C2)cs1
• InChI: InChI=1S/C20H22N6O3S/c1-13-16(5-9-29-13)18(28)25-20-24-15(12-30-20)10-17(27)23-14-4-2-8-26(11-14)19-21-6-3-7-22-19/h3,5-7,9,12,14H,2,4,8,10-11H2,1H3,(H,23,27)(H,24,25,28)
• InChIKey: QERSZXGKOSOZOO-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 113.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.50
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide?

The IUPAC name of 2-methyl-N-[4-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide (CID 55803931) is 2-methyl-N-[4-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide.

What is the SMILES notation for 2-methyl-N-[4-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide?

The canonical SMILES for 2-methyl-N-[4-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide is Cc1occc1C(=O)Nc1nc(CC(=O)NC2CCCN(c3ncccn3)C2)cs1.

What is the InChIKey of 2-methyl-N-[4-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide?

The InChIKey is QERSZXGKOSOZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3S/c1-13-16(5-9-29-13)18(28)25-20-24-15(12-30-20)10-17(27)23-14-4-2-8-26(11-14)19-21-6-3-7-22-19/h3,5-7,9,12,14H,2,4,8,10-11H2,1H3,(H,23,27)(H,24,25,28).

What are the key properties of 2-methyl-N-[4-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide?

2-methyl-N-[4-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide has a molecular weight of 426.50 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[4-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide is sourced from PubChem (CID 55803931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).