3-(2-ethyl-1,3-thiazol-4-yl)indolizine-1-carboxylic acid

C14H12N2O2S — CID 121229439

IUPAC3-(2-ethyl-1,3-thiazol-4-yl)indolizine-1-carboxylic acid
SMILESCCc1nc(-c2cc(C(=O)O)c3ccccn23)cs1
InChIInChI=1S/C14H12N2O2S/c1-2-13-15-10(8-19-13)12-7-9(14(17)18)11-5-3-4-6-16(11)12/h3-8H,2H2,1H3,(H,17,18)
InChIKeyVGHHDRCKAPXLTR-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.32
Rot. Bonds3

About 3-(2-ethyl-1,3-thiazol-4-yl)indolizine-1-carboxylic acid

3-(2-ethyl-1,3-thiazol-4-yl)indolizine-1-carboxylic acid (PubChem CID 121229439) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-(2-ethyl-1,3-thiazol-4-yl)indolizine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-ethyl-1,3-thiazol-4-yl)indolizine-1-carboxylic acid
PubChem CID121229439
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name3-(2-ethyl-1,3-thiazol-4-yl)indolizine-1-carboxylic acid
SMILESCCc1nc(-c2cc(C(=O)O)c3ccccn23)cs1
InChIInChI=1S/C14H12N2O2S/c1-2-13-15-10(8-19-13)12-7-9(14(17)18)11-5-3-4-6-16(11)12/h3-8H,2H2,1H3,(H,17,18)
InChIKeyVGHHDRCKAPXLTR-UHFFFAOYSA-N
XLogP3.32
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizine-1-carboxylic acid
CID 134069675
3-(2-ethyl-1,3-thiazol-4-yl)-N-(2-methoxyethyl)indolizine-1-carboxamide
CID 97407423
3-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)indolizine-1-carboxamide
CID 97446816
[3-(2-benzyl-1,3-thiazol-4-yl)indolizin-1-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 97446879
[3-(2-phenyl-1,3-thiazol-4-yl)indolizin-1-yl]-pyrrolidin-1-ylmethanone
CID 97446884
(4-methylpiperazin-1-yl)-[3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizin-1-yl]methanone
CID 97446871
N-cyclopropyl-3-(2-propan-2-yl-1,3-thiazol-4-yl)indolizine-1-carboxamide
CID 97407424
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-propan-2-yl-1,3-thiazol-4-yl)indolizin-1-yl]methanone
CID 97446851
ethyl 3-pyridin-2-ylindolizine-1-carboxylate
CID 154722576
3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide
CID 97446858
[3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]indolizin-1-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 97446891
[3-[2-methyl-1-(1,3-thiazol-2-yl)imidazol-4-yl]indolizin-1-yl]-pyrrolidin-1-ylmethanone
CID 97410696

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-1,3-thiazol-4-yl)indolizine-1-carboxylic acid?
The IUPAC name of 3-(2-ethyl-1,3-thiazol-4-yl)indolizine-1-carboxylic acid (CID 121229439) is 3-(2-ethyl-1,3-thiazol-4-yl)indolizine-1-carboxylic acid.
What is the SMILES notation for 3-(2-ethyl-1,3-thiazol-4-yl)indolizine-1-carboxylic acid?
The canonical SMILES for 3-(2-ethyl-1,3-thiazol-4-yl)indolizine-1-carboxylic acid is CCc1nc(-c2cc(C(=O)O)c3ccccn23)cs1.
What is the InChIKey of 3-(2-ethyl-1,3-thiazol-4-yl)indolizine-1-carboxylic acid?
The InChIKey is VGHHDRCKAPXLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-2-13-15-10(8-19-13)12-7-9(14(17)18)11-5-3-4-6-16(11)12/h3-8H,2H2,1H3,(H,17,18).
What are the key properties of 3-(2-ethyl-1,3-thiazol-4-yl)indolizine-1-carboxylic acid?
3-(2-ethyl-1,3-thiazol-4-yl)indolizine-1-carboxylic acid has a molecular weight of 272.33 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-1,3-thiazol-4-yl)indolizine-1-carboxylic acid is sourced from PubChem (CID 121229439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).