N-[4-[2-[[3-(2-fluoroethoxy)-2-pyridinyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C17H15FN4O4S — CID 166319588

About N-[4-[2-[[3-(2-fluoroethoxy)-2-pyridinyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-[2-[[3-(2-fluoroethoxy)-2-pyridinyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 166319588) has the molecular formula C17H15FN4O4S and a molecular weight of 390.40 g/mol. Its IUPAC name is N-[4-[2-[[3-(2-fluoroethoxy)-2-pyridinyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[[3-(2-fluoroethoxy)-2-pyridinyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• PubChem CID: 166319588
• Molecular Formula: C17H15FN4O4S
• Molecular Weight: 390.40 g/mol
• Exact Mass: 390.08
• IUPAC Name: N-[4-[2-[[3-(2-fluoroethoxy)-2-pyridinyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• SMILES: O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1ncccc1OCCF
• InChI: InChI=1S/C17H15FN4O4S/c18-5-8-26-12-3-1-6-19-15(12)21-14(23)9-11-10-27-17(20-11)22-16(24)13-4-2-7-25-13/h1-4,6-7,10H,5,8-9H2,(H,19,21,23)(H,20,22,24)
• InChIKey: MITWZXFABFJUQK-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 106.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.40
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[3-(2-fluoroethoxy)-2-pyridinyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The IUPAC name of N-[4-[2-[[3-(2-fluoroethoxy)-2-pyridinyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 166319588) is N-[4-[2-[[3-(2-fluoroethoxy)-2-pyridinyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[4-[2-[[3-(2-fluoroethoxy)-2-pyridinyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[4-[2-[[3-(2-fluoroethoxy)-2-pyridinyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1ncccc1OCCF.

What is the InChIKey of N-[4-[2-[[3-(2-fluoroethoxy)-2-pyridinyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The InChIKey is MITWZXFABFJUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O4S/c18-5-8-26-12-3-1-6-19-15(12)21-14(23)9-11-10-27-17(20-11)22-16(24)13-4-2-7-25-13/h1-4,6-7,10H,5,8-9H2,(H,19,21,23)(H,20,22,24).

What are the key properties of N-[4-[2-[[3-(2-fluoroethoxy)-2-pyridinyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

N-[4-[2-[[3-(2-fluoroethoxy)-2-pyridinyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 390.40 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[[3-(2-fluoroethoxy)-2-pyridinyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 166319588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).