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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1,3-thiazol-2-yl)indolizine-7-carboxamide
CID 156907521
5-(Pyridin-3-yl)-2-(pyrrolidin-1-yl)-(1,3)thiazolo(4,5-b)pyridine-7-carboxylic acid
CID 16227786
2-Morpholino-5-(thiophen-2-yl)thiazolo[4,5-b]pyridine-7-carboxylic acid
CID 4780168
2-(Piperidin-1-yl)-5-(thiophen-2-yl)thiazolo[4,5-b]pyridine-7-carboxylic acid
CID 4841150
Ethyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]benzoate
CID 57538703
3-[2-[5-[6-[(4-Methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]benzoic acid
CID 58707196
4-[1-[4-(2-Methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoic acid
CID 59160821
4-[4-[4-(2-Methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzoic acid
CID 59160848
4-[1-[4-(2-Methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopentyl]benzoic acid
CID 59160881
Methyl 4-[4-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzoate
CID 59160950
Ethyl 2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetate
CID 59384893
3-[[4-(4-Pyridin-2-ylthiophen-2-yl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 59429792

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).