N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide

C21H21FN2O2S — CID 1163808

About N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide

N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide (PubChem CID 1163808) has the molecular formula C21H21FN2O2S and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide.

Molecular Properties

• Compound Name: N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide
• PubChem CID: 1163808
• Molecular Formula: C21H21FN2O2S
• Molecular Weight: 384.48 g/mol
• Exact Mass: 384.13
• IUPAC Name: N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide
• SMILES: C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)o1
• InChI: InChI=1S/C21H21FN2O2S/c1-13-10-18(13)19-8-6-16(26-19)7-9-20(25)24-21-23-12-17(27-21)11-14-2-4-15(22)5-3-14/h2-6,8,12-13,18H,7,9-11H2,1H3,(H,23,24,25)/t13-,18-/m0/s1
• InChIKey: BEMPJOSAPOGKGI-UGSOOPFHSA-N
• XLogP: 5.16
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.48
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide?

The IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide (CID 1163808) is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide.

What is the SMILES notation for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide?

The canonical SMILES for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide is C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)o1.

What is the InChIKey of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide?

The InChIKey is BEMPJOSAPOGKGI-UGSOOPFHSA-N. The full InChI is InChI=1S/C21H21FN2O2S/c1-13-10-18(13)19-8-6-16(26-19)7-9-20(25)24-21-23-12-17(27-21)11-14-2-4-15(22)5-3-14/h2-6,8,12-13,18H,7,9-11H2,1H3,(H,23,24,25)/t13-,18-/m0/s1.

What are the key properties of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide?

N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide has a molecular weight of 384.48 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide is sourced from PubChem (CID 1163808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).