6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid

C19H21N3O3S — CID 139311508

IUPAC6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid
SMILESCc1c(C(=O)O)cc2cc(-c3nccs3)cn2c1C(C)N1CCOCC1
InChIInChI=1S/C19H21N3O3S/c1-12-16(19(23)24)10-15-9-14(18-20-3-8-26-18)11-22(15)17(12)13(2)21-4-6-25-7-5-21/h3,8-11,13H,4-7H2,1-2H3,(H,23,24)
InChIKeyFVNKDEBSUIUIOP-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.46
Rot. Bonds4

About 6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid

6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid (PubChem CID 139311508) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid.

Molecular Properties

Compound Name6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid
PubChem CID139311508
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid
SMILESCc1c(C(=O)O)cc2cc(-c3nccs3)cn2c1C(C)N1CCOCC1
InChIInChI=1S/C19H21N3O3S/c1-12-16(19(23)24)10-15-9-14(18-20-3-8-26-18)11-22(15)17(12)13(2)21-4-6-25-7-5-21/h3,8-11,13H,4-7H2,1-2H3,(H,23,24)
InChIKeyFVNKDEBSUIUIOP-UHFFFAOYSA-N
XLogP3.46
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid?
The IUPAC name of 6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid (CID 139311508) is 6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid.
What is the SMILES notation for 6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid?
The canonical SMILES for 6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid is Cc1c(C(=O)O)cc2cc(-c3nccs3)cn2c1C(C)N1CCOCC1.
What is the InChIKey of 6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid?
The InChIKey is FVNKDEBSUIUIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-12-16(19(23)24)10-15-9-14(18-20-3-8-26-18)11-22(15)17(12)13(2)21-4-6-25-7-5-21/h3,8-11,13H,4-7H2,1-2H3,(H,23,24).
What are the key properties of 6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid?
6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid has a molecular weight of 371.46 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid is sourced from PubChem (CID 139311508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).