[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone

C21H22N2O3S — CID 99808580

About [(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone

[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone (PubChem CID 99808580) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is [(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

• Compound Name: [(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone
• PubChem CID: 99808580
• Molecular Formula: C21H22N2O3S
• Molecular Weight: 382.49 g/mol
• Exact Mass: 382.14
• IUPAC Name: [(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone
• SMILES: CC(C)Oc1ccc(-c2nc(C(=O)N3CCC[C@H]3c3ccco3)cs2)cc1
• InChI: InChI=1S/C21H22N2O3S/c1-14(2)26-16-9-7-15(8-10-16)20-22-17(13-27-20)21(24)23-11-3-5-18(23)19-6-4-12-25-19/h4,6-10,12-14,18H,3,5,11H2,1-2H3/t18-/m0/s1
• InChIKey: LYNLLEZGFQDMQE-SFHVURJKSA-N
• XLogP: 5.17
• TPSA: 55.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	382.49
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone?

The IUPAC name of [(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone (CID 99808580) is [(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone.

What is the SMILES notation for [(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone?

The canonical SMILES for [(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone is CC(C)Oc1ccc(-c2nc(C(=O)N3CCC[C@H]3c3ccco3)cs2)cc1.

What is the InChIKey of [(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone?

The InChIKey is LYNLLEZGFQDMQE-SFHVURJKSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-14(2)26-16-9-7-15(8-10-16)20-22-17(13-27-20)21(24)23-11-3-5-18(23)19-6-4-12-25-19/h4,6-10,12-14,18H,3,5,11H2,1-2H3/t18-/m0/s1.

What are the key properties of [(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone?

[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 382.49 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 99808580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).