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

C21H26N4OS — CID 97446851

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

[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-propan-2-yl-1,3-thiazol-4-yl)indolizin-1-yl]methanone (PubChem CID 97446851) has the molecular formula C21H26N4OS and a molecular weight of 382.53 g/mol. Its IUPAC name is [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-propan-2-yl-1,3-thiazol-4-yl)indolizin-1-yl]methanone.

Molecular Properties

• Compound Name: [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-propan-2-yl-1,3-thiazol-4-yl)indolizin-1-yl]methanone
• PubChem CID: 97446851
• Molecular Formula: C21H26N4OS
• Molecular Weight: 382.53 g/mol
• Exact Mass: 382.18
• IUPAC Name: [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-propan-2-yl-1,3-thiazol-4-yl)indolizin-1-yl]methanone
• SMILES: CC(C)c1nc(-c2cc(C(=O)N3CC[C@H](N(C)C)C3)c3ccccn23)cs1
• InChI: InChI=1S/C21H26N4OS/c1-14(2)20-22-17(13-27-20)19-11-16(18-7-5-6-9-25(18)19)21(26)24-10-8-15(12-24)23(3)4/h5-7,9,11,13-15H,8,10,12H2,1-4H3/t15-/m0/s1
• InChIKey: LTIHRQAUUZWDCX-HNNXBMFYSA-N
• XLogP: 3.96
• TPSA: 40.85 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.53
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-propan-2-yl-1,3-thiazol-4-yl)indolizin-1-yl]methanone (CID 97446851) is [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-propan-2-yl-1,3-thiazol-4-yl)indolizin-1-yl]methanone.

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

The canonical SMILES for [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-propan-2-yl-1,3-thiazol-4-yl)indolizin-1-yl]methanone is CC(C)c1nc(-c2cc(C(=O)N3CC[C@H](N(C)C)C3)c3ccccn23)cs1.

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

The InChIKey is LTIHRQAUUZWDCX-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H26N4OS/c1-14(2)20-22-17(13-27-20)19-11-16(18-7-5-6-9-25(18)19)21(26)24-10-8-15(12-24)23(3)4/h5-7,9,11,13-15H,8,10,12H2,1-4H3/t15-/m0/s1.

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

[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-propan-2-yl-1,3-thiazol-4-yl)indolizin-1-yl]methanone has a molecular weight of 382.53 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-propan-2-yl-1,3-thiazol-4-yl)indolizin-1-yl]methanone is sourced from PubChem (CID 97446851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).