N-[4-[2-oxo-2-[oxolan-2-ylmethyl(pyridin-4-ylmethyl)amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C21H22N4O4S — CID 86875911

About N-[4-[2-oxo-2-[oxolan-2-ylmethyl(pyridin-4-ylmethyl)amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-[2-oxo-2-[oxolan-2-ylmethyl(pyridin-4-ylmethyl)amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 86875911) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-[4-[2-oxo-2-[oxolan-2-ylmethyl(pyridin-4-ylmethyl)amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-oxo-2-[oxolan-2-ylmethyl(pyridin-4-ylmethyl)amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• PubChem CID: 86875911
• Molecular Formula: C21H22N4O4S
• Molecular Weight: 426.50 g/mol
• Exact Mass: 426.14
• IUPAC Name: N-[4-[2-oxo-2-[oxolan-2-ylmethyl(pyridin-4-ylmethyl)amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• SMILES: O=C(Nc1nc(CC(=O)N(Cc2ccncc2)CC2CCCO2)cs1)c1ccco1
• InChI: InChI=1S/C21H22N4O4S/c26-19(11-16-14-30-21(23-16)24-20(27)18-4-2-10-29-18)25(13-17-3-1-9-28-17)12-15-5-7-22-8-6-15/h2,4-8,10,14,17H,1,3,9,11-13H2,(H,23,24,27)
• InChIKey: DZJIQYUFTKTUKY-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 97.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.50
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[4-[2-oxo-2-[oxolan-2-ylmethyl(pyridin-4-ylmethyl)amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 86875911) is N-[4-[2-oxo-2-[oxolan-2-ylmethyl(pyridin-4-ylmethyl)amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

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

The canonical SMILES for N-[4-[2-oxo-2-[oxolan-2-ylmethyl(pyridin-4-ylmethyl)amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is O=C(Nc1nc(CC(=O)N(Cc2ccncc2)CC2CCCO2)cs1)c1ccco1.

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

The InChIKey is DZJIQYUFTKTUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c26-19(11-16-14-30-21(23-16)24-20(27)18-4-2-10-29-18)25(13-17-3-1-9-28-17)12-15-5-7-22-8-6-15/h2,4-8,10,14,17H,1,3,9,11-13H2,(H,23,24,27).

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

N-[4-[2-oxo-2-[oxolan-2-ylmethyl(pyridin-4-ylmethyl)amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 426.50 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-oxo-2-[oxolan-2-ylmethyl(pyridin-4-ylmethyl)amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 86875911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).