N-[4-[2-[[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C21H18FN5O3S — CID 26077075

About N-[4-[2-[[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-[2-[[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 26077075) has the molecular formula C21H18FN5O3S and a molecular weight of 439.47 g/mol. Its IUPAC name is N-[4-[2-[[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• PubChem CID: 26077075
• Molecular Formula: C21H18FN5O3S
• Molecular Weight: 439.47 g/mol
• Exact Mass: 439.11
• IUPAC Name: N-[4-[2-[[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• SMILES: Cn1ccnc1[C@H](NC(=O)Cc1csc(NC(=O)c2ccco2)n1)c1ccc(F)cc1
• InChI: InChI=1S/C21H18FN5O3S/c1-27-9-8-23-19(27)18(13-4-6-14(22)7-5-13)25-17(28)11-15-12-31-21(24-15)26-20(29)16-3-2-10-30-16/h2-10,12,18H,11H2,1H3,(H,25,28)(H,24,26,29)/t18-/m1/s1
• InChIKey: YPHHGXFYDYHKEC-GOSISDBHSA-N
• XLogP: 3.31
• TPSA: 102.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.47
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[4-[2-[[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 26077075) is N-[4-[2-[[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

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

The canonical SMILES for N-[4-[2-[[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is Cn1ccnc1[C@H](NC(=O)Cc1csc(NC(=O)c2ccco2)n1)c1ccc(F)cc1.

What is the InChIKey of N-[4-[2-[[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The InChIKey is YPHHGXFYDYHKEC-GOSISDBHSA-N. The full InChI is InChI=1S/C21H18FN5O3S/c1-27-9-8-23-19(27)18(13-4-6-14(22)7-5-13)25-17(28)11-15-12-31-21(24-15)26-20(29)16-3-2-10-30-16/h2-10,12,18H,11H2,1H3,(H,25,28)(H,24,26,29)/t18-/m1/s1.

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

N-[4-[2-[[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 439.47 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 26077075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).