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

C24H23ClN4OS — CID 131661328

IUPAC[3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]indolizin-1-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2cc(-c3csc(-c4cccc(Cl)c4)n3)n3ccccc23)C1
InChIInChI=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
InChIKeyASXRKCYUVXULTE-UHFFFAOYSA-N
MW451.00 g/mol
LogP5.16
Rot. Bonds4

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

[3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]indolizin-1-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone (PubChem CID 131661328) 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]-[3-(dimethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]indolizin-1-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
PubChem CID131661328
Molecular FormulaC24H23ClN4OS
Molecular Weight451.00 g/mol
Exact Mass450.13
IUPAC Name[3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]indolizin-1-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2cc(-c3csc(-c4cccc(Cl)c4)n3)n3ccccc23)C1
InChIInChI=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
InChIKeyASXRKCYUVXULTE-UHFFFAOYSA-N
XLogP5.16
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.00
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]indolizin-1-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]indolizin-1-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone (CID 131661328) is [3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]indolizin-1-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]indolizin-1-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]indolizin-1-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone is CN(C)C1CCN(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]-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is ASXRKCYUVXULTE-UHFFFAOYSA-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.
What are the key properties of [3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]indolizin-1-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
[3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]indolizin-1-yl]-[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]-[3-(dimethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 131661328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).