3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

C19H24N2O2S — CID 95761439

About 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 95761439) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
• PubChem CID: 95761439
• Molecular Formula: C19H24N2O2S
• Molecular Weight: 344.48 g/mol
• Exact Mass: 344.16
• IUPAC Name: 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
• SMILES: C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC[C@H](c3nccs3)C2)o1
• InChI: InChI=1S/C19H24N2O2S/c1-13-11-16(13)17-6-4-15(23-17)5-7-18(22)21-9-2-3-14(12-21)19-20-8-10-24-19/h4,6,8,10,13-14,16H,2-3,5,7,9,11-12H2,1H3/t13-,14+,16+/m1/s1
• InChIKey: HHEUMLCXUGWBLW-YCPHGPKFSA-N
• XLogP: 4.20
• TPSA: 46.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.48
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?

The IUPAC name of 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (CID 95761439) is 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.

What is the SMILES notation for 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?

The canonical SMILES for 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC[C@H](c3nccs3)C2)o1.

What is the InChIKey of 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?

The InChIKey is HHEUMLCXUGWBLW-YCPHGPKFSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-13-11-16(13)17-6-4-15(23-17)5-7-18(22)21-9-2-3-14(12-21)19-20-8-10-24-19/h4,6,8,10,13-14,16H,2-3,5,7,9,11-12H2,1H3/t13-,14+,16+/m1/s1.

What are the key properties of 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?

3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 344.48 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95761439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).