N-(5-tert-butyl-1,3-thiazol-2-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide

C₂₇H₂₇FN₄O₃S — CID 156906941

About N-(5-tert-butyl-1,3-thiazol-2-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide

N-(5-tert-butyl-1,3-thiazol-2-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide (PubChem CID 156906941) has the molecular formula C₂₇H₂₇FN₄O₃S and a molecular weight of 506.60 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3-thiazol-2-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-(5-tert-butyl-1,3-thiazol-2-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
• PubChem CID: 156906941
• Molecular Formula: C₂₇H₂₇FN₄O₃S
• Molecular Weight: 506.60 g/mol
• Exact Mass: 506.18
• IUPAC Name: N-(5-tert-butyl-1,3-thiazol-2-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
• SMILES: CC(C)(C)c1cnc(N(C(=O)c2ccco2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)s1
• InChI: InChI=1S/C27H27FN4O3S/c1-27(2,3)22-17-31-26(36-22)32(25(34)21-10-6-14-35-21)23(19-8-5-12-29-16-19)24(33)30-13-11-18-7-4-9-20(28)15-18/h4-10,12,14-17,23H,11,13H2,1-3H3,(H,30,33)
• InChIKey: DJAHYHWLWJBXSK-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.60
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3-thiazol-2-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide?

The IUPAC name of N-(5-tert-butyl-1,3-thiazol-2-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide (CID 156906941) is N-(5-tert-butyl-1,3-thiazol-2-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide.

What is the SMILES notation for N-(5-tert-butyl-1,3-thiazol-2-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide?

The canonical SMILES for N-(5-tert-butyl-1,3-thiazol-2-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide is CC(C)(C)c1cnc(N(C(=O)c2ccco2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)s1.

What is the InChIKey of N-(5-tert-butyl-1,3-thiazol-2-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide?

The InChIKey is DJAHYHWLWJBXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O3S/c1-27(2,3)22-17-31-26(36-22)32(25(34)21-10-6-14-35-21)23(19-8-5-12-29-16-19)24(33)30-13-11-18-7-4-9-20(28)15-18/h4-10,12,14-17,23H,11,13H2,1-3H3,(H,30,33).

What are the key properties of N-(5-tert-butyl-1,3-thiazol-2-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide?

N-(5-tert-butyl-1,3-thiazol-2-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide has a molecular weight of 506.60 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-tert-butyl-1,3-thiazol-2-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 156906941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156906941 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.