[3-(2-ethyl-1,3-thiazol-4-yl)indolizin-1-yl]-morpholin-4-ylmethanone

C18H19N3O2S — CID 155901025

IUPAC[3-(2-ethyl-1,3-thiazol-4-yl)indolizin-1-yl]-morpholin-4-ylmethanone
SMILESCCc1nc(-c2cc(C(=O)N3CCOCC3)c3ccccn23)cs1
InChIInChI=1S/C18H19N3O2S/c1-2-17-19-14(12-24-17)16-11-13(15-5-3-4-6-21(15)16)18(22)20-7-9-23-10-8-20/h3-6,11-12H,2,7-10H2,1H3
InChIKeyNWAPNYSGRLOWGI-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.10
Rot. Bonds3

About [3-(2-ethyl-1,3-thiazol-4-yl)indolizin-1-yl]-morpholin-4-ylmethanone

[3-(2-ethyl-1,3-thiazol-4-yl)indolizin-1-yl]-morpholin-4-ylmethanone (PubChem CID 155901025) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is [3-(2-ethyl-1,3-thiazol-4-yl)indolizin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(2-ethyl-1,3-thiazol-4-yl)indolizin-1-yl]-morpholin-4-ylmethanone
PubChem CID155901025
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name[3-(2-ethyl-1,3-thiazol-4-yl)indolizin-1-yl]-morpholin-4-ylmethanone
SMILESCCc1nc(-c2cc(C(=O)N3CCOCC3)c3ccccn23)cs1
InChIInChI=1S/C18H19N3O2S/c1-2-17-19-14(12-24-17)16-11-13(15-5-3-4-6-21(15)16)18(22)20-7-9-23-10-8-20/h3-6,11-12H,2,7-10H2,1H3
InChIKeyNWAPNYSGRLOWGI-UHFFFAOYSA-N
XLogP3.10
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2-ethyl-1,3-thiazol-4-yl)indolizin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(2-ethyl-1,3-thiazol-4-yl)indolizin-1-yl]-morpholin-4-ylmethanone (CID 155901025) is [3-(2-ethyl-1,3-thiazol-4-yl)indolizin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(2-ethyl-1,3-thiazol-4-yl)indolizin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(2-ethyl-1,3-thiazol-4-yl)indolizin-1-yl]-morpholin-4-ylmethanone is CCc1nc(-c2cc(C(=O)N3CCOCC3)c3ccccn23)cs1.
What is the InChIKey of [3-(2-ethyl-1,3-thiazol-4-yl)indolizin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is NWAPNYSGRLOWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-2-17-19-14(12-24-17)16-11-13(15-5-3-4-6-21(15)16)18(22)20-7-9-23-10-8-20/h3-6,11-12H,2,7-10H2,1H3.
What are the key properties of [3-(2-ethyl-1,3-thiazol-4-yl)indolizin-1-yl]-morpholin-4-ylmethanone?
[3-(2-ethyl-1,3-thiazol-4-yl)indolizin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 341.44 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethyl-1,3-thiazol-4-yl)indolizin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 155901025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).