5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid

C20H23N3O3S — CID 134340437

IUPAC5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid
SMILESCCN(c1c(C)c(C(=O)O)cc2cc(-c3nccs3)cn12)C1CCOCC1
InChIInChI=1S/C20H23N3O3S/c1-3-22(15-4-7-26-8-5-15)19-13(2)17(20(24)25)11-16-10-14(12-23(16)19)18-21-6-9-27-18/h6,9-12,15H,3-5,7-8H2,1-2H3,(H,24,25)
InChIKeyFCSCOLYUYXVFEU-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.07
Rot. Bonds5

About 5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid

5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid (PubChem CID 134340437) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid.

Molecular Properties

Compound Name5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid
PubChem CID134340437
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid
SMILESCCN(c1c(C)c(C(=O)O)cc2cc(-c3nccs3)cn12)C1CCOCC1
InChIInChI=1S/C20H23N3O3S/c1-3-22(15-4-7-26-8-5-15)19-13(2)17(20(24)25)11-16-10-14(12-23(16)19)18-21-6-9-27-18/h6,9-12,15H,3-5,7-8H2,1-2H3,(H,24,25)
InChIKeyFCSCOLYUYXVFEU-UHFFFAOYSA-N
XLogP4.07
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid?
The IUPAC name of 5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid (CID 134340437) is 5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid.
What is the SMILES notation for 5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid?
The canonical SMILES for 5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid is CCN(c1c(C)c(C(=O)O)cc2cc(-c3nccs3)cn12)C1CCOCC1.
What is the InChIKey of 5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid?
The InChIKey is FCSCOLYUYXVFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-3-22(15-4-7-26-8-5-15)19-13(2)17(20(24)25)11-16-10-14(12-23(16)19)18-21-6-9-27-18/h6,9-12,15H,3-5,7-8H2,1-2H3,(H,24,25).
What are the key properties of 5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid?
5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid has a molecular weight of 385.49 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid is sourced from PubChem (CID 134340437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).