ethyl 3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizine-2-carboxylate

C19H21N3O3S — CID 118573253

IUPACethyl 3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizine-2-carboxylate
SMILESCCOC(=O)c1cc2ccccn2c1-c1csc(CN2CCOCC2)n1
InChIInChI=1S/C19H21N3O3S/c1-2-25-19(23)15-11-14-5-3-4-6-22(14)18(15)16-13-26-17(20-16)12-21-7-9-24-10-8-21/h3-6,11,13H,2,7-10,12H2,1H3
InChIKeyFVLRYWYSVMRPEC-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.07
Rot. Bonds5

About ethyl 3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizine-2-carboxylate

ethyl 3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizine-2-carboxylate (PubChem CID 118573253) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is ethyl 3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizine-2-carboxylate
PubChem CID118573253
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Nameethyl 3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizine-2-carboxylate
SMILESCCOC(=O)c1cc2ccccn2c1-c1csc(CN2CCOCC2)n1
InChIInChI=1S/C19H21N3O3S/c1-2-25-19(23)15-11-14-5-3-4-6-22(14)18(15)16-13-26-17(20-16)12-21-7-9-24-10-8-21/h3-6,11,13H,2,7-10,12H2,1H3
InChIKeyFVLRYWYSVMRPEC-UHFFFAOYSA-N
XLogP3.07
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizine-2-carboxylate?
The IUPAC name of ethyl 3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizine-2-carboxylate (CID 118573253) is ethyl 3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizine-2-carboxylate.
What is the SMILES notation for ethyl 3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizine-2-carboxylate?
The canonical SMILES for ethyl 3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizine-2-carboxylate is CCOC(=O)c1cc2ccccn2c1-c1csc(CN2CCOCC2)n1.
What is the InChIKey of ethyl 3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizine-2-carboxylate?
The InChIKey is FVLRYWYSVMRPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-2-25-19(23)15-11-14-5-3-4-6-22(14)18(15)16-13-26-17(20-16)12-21-7-9-24-10-8-21/h3-6,11,13H,2,7-10,12H2,1H3.
What are the key properties of ethyl 3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizine-2-carboxylate?
ethyl 3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizine-2-carboxylate has a molecular weight of 371.46 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizine-2-carboxylate is sourced from PubChem (CID 118573253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).