1-[3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizin-2-yl]ethanol

C18H21N3O2S — CID 118572896

IUPAC1-[3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizin-2-yl]ethanol
SMILESCC(O)c1cc2ccccn2c1-c1csc(CN2CCOCC2)n1
InChIInChI=1S/C18H21N3O2S/c1-13(22)15-10-14-4-2-3-5-21(14)18(15)16-12-24-17(19-16)11-20-6-8-23-9-7-20/h2-5,10,12-13,22H,6-9,11H2,1H3
InChIKeyYRCHAISXBYGXKC-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.95
Rot. Bonds4

About 1-[3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizin-2-yl]ethanol

1-[3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizin-2-yl]ethanol (PubChem CID 118572896) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-[3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizin-2-yl]ethanol.

Molecular Properties

Compound Name1-[3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizin-2-yl]ethanol
PubChem CID118572896
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name1-[3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizin-2-yl]ethanol
SMILESCC(O)c1cc2ccccn2c1-c1csc(CN2CCOCC2)n1
InChIInChI=1S/C18H21N3O2S/c1-13(22)15-10-14-4-2-3-5-21(14)18(15)16-12-24-17(19-16)11-20-6-8-23-9-7-20/h2-5,10,12-13,22H,6-9,11H2,1H3
InChIKeyYRCHAISXBYGXKC-UHFFFAOYSA-N
XLogP2.95
TPSA50.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizin-2-yl]ethanol?
The IUPAC name of 1-[3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizin-2-yl]ethanol (CID 118572896) is 1-[3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizin-2-yl]ethanol.
What is the SMILES notation for 1-[3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizin-2-yl]ethanol?
The canonical SMILES for 1-[3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizin-2-yl]ethanol is CC(O)c1cc2ccccn2c1-c1csc(CN2CCOCC2)n1.
What is the InChIKey of 1-[3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizin-2-yl]ethanol?
The InChIKey is YRCHAISXBYGXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-13(22)15-10-14-4-2-3-5-21(14)18(15)16-12-24-17(19-16)11-20-6-8-23-9-7-20/h2-5,10,12-13,22H,6-9,11H2,1H3.
What are the key properties of 1-[3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizin-2-yl]ethanol?
1-[3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizin-2-yl]ethanol has a molecular weight of 343.45 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizin-2-yl]ethanol is sourced from PubChem (CID 118572896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).