N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]furan-2-carboxamide

C18H24N4O5S — CID 4124696

About N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]furan-2-carboxamide

N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]furan-2-carboxamide (PubChem CID 4124696) has the molecular formula C18H24N4O5S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]furan-2-carboxamide
• PubChem CID: 4124696
• Molecular Formula: C18H24N4O5S
• Molecular Weight: 408.48 g/mol
• Exact Mass: 408.15
• IUPAC Name: N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]furan-2-carboxamide
• SMILES: COCCN(CC(=O)Nc1nc(CC(=O)NC(C)C)cs1)C(=O)c1ccco1
• InChI: InChI=1S/C18H24N4O5S/c1-12(2)19-15(23)9-13-11-28-18(20-13)21-16(24)10-22(6-8-26-3)17(25)14-5-4-7-27-14/h4-5,7,11-12H,6,8-10H2,1-3H3,(H,19,23)(H,20,21,24)
• InChIKey: REJAAVGNZACFCE-UHFFFAOYSA-N
• XLogP: 1.53
• TPSA: 113.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.48
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]furan-2-carboxamide (CID 4124696) is N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]furan-2-carboxamide.

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

The canonical SMILES for N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]furan-2-carboxamide is COCCN(CC(=O)Nc1nc(CC(=O)NC(C)C)cs1)C(=O)c1ccco1.

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

The InChIKey is REJAAVGNZACFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5S/c1-12(2)19-15(23)9-13-11-28-18(20-13)21-16(24)10-22(6-8-26-3)17(25)14-5-4-7-27-14/h4-5,7,11-12H,6,8-10H2,1-3H3,(H,19,23)(H,20,21,24).

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

N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]furan-2-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 1.53, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 4124696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).