[3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]indolizin-1-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone

C24H23ClN4OS — CID 97446891

About [3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]indolizin-1-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone

[3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]indolizin-1-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone (PubChem CID 97446891) has the molecular formula C24H23ClN4OS and a molecular weight of 451.00 g/mol. Its IUPAC name is [3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]indolizin-1-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]indolizin-1-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
• PubChem CID: 97446891
• Molecular Formula: C24H23ClN4OS
• Molecular Weight: 451.00 g/mol
• Exact Mass: 450.13
• IUPAC Name: [3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]indolizin-1-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
• SMILES: CN(C)[C@@H]1CCN(C(=O)c2cc(-c3csc(-c4cccc(Cl)c4)n3)n3ccccc23)C1
• InChI: InChI=1S/C24H23ClN4OS/c1-27(2)18-9-11-28(14-18)24(30)19-13-22(29-10-4-3-8-21(19)29)20-15-31-23(26-20)16-6-5-7-17(25)12-16/h3-8,10,12-13,15,18H,9,11,14H2,1-2H3/t18-/m1/s1
• InChIKey: ASXRKCYUVXULTE-GOSISDBHSA-N
• XLogP: 5.16
• TPSA: 40.85 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.00
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]indolizin-1-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone?

The IUPAC name of [3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]indolizin-1-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone (CID 97446891) is [3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]indolizin-1-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone.

What is the SMILES notation for [3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]indolizin-1-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone?

The canonical SMILES for [3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]indolizin-1-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone is CN(C)[C@@H]1CCN(C(=O)c2cc(-c3csc(-c4cccc(Cl)c4)n3)n3ccccc23)C1.

What is the InChIKey of [3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]indolizin-1-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone?

The InChIKey is ASXRKCYUVXULTE-GOSISDBHSA-N. The full InChI is InChI=1S/C24H23ClN4OS/c1-27(2)18-9-11-28(14-18)24(30)19-13-22(29-10-4-3-8-21(19)29)20-15-31-23(26-20)16-6-5-7-17(25)12-16/h3-8,10,12-13,15,18H,9,11,14H2,1-2H3/t18-/m1/s1.

What are the key properties of [3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]indolizin-1-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone?

[3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]indolizin-1-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 451.00 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]indolizin-1-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97446891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).